List Systems
Back
Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
112064 |
50393503 |
1 |
ClO5N6C38H45 |
AB5C6D38E45 |
-194.95 |
9.27 |
-8.78 |
-0.53 |
0 |
|
|
112065 |
50393518 |
1 |
N6O6C41H52 |
A6B6C41D52 |
-232.46 |
9.69 |
-8.34 |
-0.48 |
0 |
|
|
112066 |
50393546 |
1 |
ClO5N6C36H49 |
AB5C6D36E49 |
-225.72 |
5.78 |
-8.84 |
-0.85 |
0 |
|
|
112067 |
50393586 |
1 |
ClN6O6C39H53 |
AB6C6D39E53 |
-274.64 |
2.23 |
-8.57 |
-0.31 |
0 |
|
|
112068 |
50393750 |
1 |
ClN6O6C36H49 |
AB6C6D36E49 |
-268.69 |
5.53 |
-8.98 |
-0.83 |
0 |
|
|
112070 |
50393752 |
1 |
ClN6O6C37H49 |
AB6C6D37E49 |
-257.33 |
1.58 |
-8.84 |
-0.77 |
0 |
|
|
112071 |
50393753 |
1 |
ClN6O6C38H51 |
AB6C6D38E51 |
-261.44 |
6.93 |
-8.92 |
-0.74 |
0 |
|
|
112072 |
50393754 |
1 |
ClN6O6C39H53 |
AB6C6D39E53 |
-265.26 |
10.04 |
-8.88 |
-0.77 |
0 |
|
|
112073 |
50393755 |
1 |
ClN6O7C37H49 |
AB6C7D37E49 |
-290.22 |
3.65 |
-9.09 |
-0.94 |
0 |
|
|
112074 |
50393756 |
1 |
ClN6O6C38H51 |
AB6C6D38E51 |
-262.02 |
9.02 |
-9.06 |
-0.76 |
0 |
|
|
112075 |
50393757 |
1 |
ClN6O6C39H53 |
AB6C6D39E53 |
-274.4 |
4.9 |
-9.02 |
-0.7 |
0 |
|
|
112076 |
50393768 |
1 |
N5O5C34H45 |
A5B5C34D45 |
-200.91 |
3.76 |
-8.78 |
-0.24 |
0 |
|
|
112077 |
50393769 |
1 |
SN5O5C33H43 |
AB5C5D33E43 |
-190.7 |
6.59 |
-8.26 |
-0.2 |
0 |
|
|
112078 |
50393770 |
1 |
ClN5O5C32H40 |
AB5C5D32E40 |
-195.12 |
9.33 |
-8.81 |
-0.28 |
0 |
|
|
112079 |
50393859 |
1 |
ClO5N6C37H49 |
AB5C6D37E49 |
-232.21 |
6.42 |
-8.72 |
-0.86 |
0 |
|
|
112080 |
50393860 |
1 |
ClO5N6C34H45 |
AB5C6D34E45 |
-227.67 |
2.07 |
-8.85 |
-0.93 |
0 |
|
|
112081 |
50393944 |
1 |
ClN6O6C39H53 |
AB6C6D39E53 |
-265.68 |
7.2 |
-8.84 |
-0.8 |
0 |
|
|
112082 |
50393945 |
1 |
ClN6O7C37H49 |
AB6C7D37E49 |
-287.52 |
4.86 |
-8.98 |
-0.77 |
0 |
|
|
112083 |
50393946 |
2 |
N3O3C17H22 |
A3B3C17D22 |
-232.85 |
7.82 |
-8.62 |
-0.38 |
0 |
|
|
112084 |
50393947 |
1 |
N5O5C35H47 |
A5B5C35D47 |
-203.42 |
7.69 |
-8.83 |
-0.16 |
0 |
|
|
112085 |
50393959 |
2 |
N3O3C19H26 |
A3B3C19D26 |
-254.5 |
4.82 |
-8.94 |
-0.25 |
0 |
|
|
112086 |
50394035 |
1 |
O5N6C37H50 |
A5B6C37D50 |
-218.69 |
10.78 |
-8.83 |
-0.55 |
0 |
|
|
112087 |
50394165 |
1 |
FO5N6C38H45 |
AB5C6D38E45 |
-230.11 |
2.77 |
-9.01 |
-0.76 |
0 |
|
|
112088 |
50394218 |
1 |
FO5N6C39H47 |
AB5C6D39E47 |
-234.0 |
4.62 |
-8.82 |
-0.61 |
0 |
|
|
112089 |
50394219 |
1 |
F2O5N6C38H44 |
A2B5C6D38E44 |
-276.63 |
4.28 |
-9.2 |
-0.34 |
0 |
|
|
112090 |
50394300 |
1 |
FO5N6C39H47 |
AB5C6D39E47 |
-226.89 |
12.02 |
-8.62 |
-0.45 |
0 |
|
|
112091 |
50394322 |
1 |
BrN5O5C34H44 |
AB5C5D34E44 |
-209.61 |
6.91 |
-8.6 |
-0.11 |
0 |
|
|
112092 |
50394323 |
1 |
N5O7C34H45 |
A5B7C34D45 |
-263.85 |
8.86 |
-8.32 |
-0.47 |
0 |
|
|
112093 |
50394324 |
1 |
N5O6C34H45 |
A5B6C34D45 |
-234.84 |
2.73 |
-8.32 |
-0.18 |
0 |
|
|
112094 |
50394371 |
1 |
F2O5N6C38H44 |
A2B5C6D38E44 |
-276.76 |
4.43 |
-8.96 |
-0.74 |
0 |
|
|
112095 |
50394372 |
1 |
F2O5N6C38H44 |
A2B5C6D38E44 |
-276.42 |
3.34 |
-8.86 |
-0.9 |
0 |
|
|
112096 |
50394373 |
1 |
FN6O6C39H47 |
AB6C6D39E47 |
-271.28 |
0.81 |
-8.8 |
-0.5 |
0 |
|
|
112097 |
50394399 |
1 |
F2O5N6C38H44 |
A2B5C6D38E44 |
-275.76 |
10.05 |
-8.79 |
-0.73 |
0 |
|
|
112098 |
50394400 |
1 |
FO5N6C38H45 |
AB5C6D38E45 |
-232.89 |
6.95 |
-9.08 |
-0.49 |
0 |
|
|
112099 |
50394401 |
1 |
FO5N6C39H47 |
AB5C6D39E47 |
-239.23 |
10.93 |
-8.72 |
-0.76 |
0 |
|
|
112100 |
50394430 |
1 |
O5N6C39H54 |
A5B6C39D54 |
-232.02 |
6.97 |
-8.91 |
-0.37 |
0 |
|
|
112101 |
50394431 |
1 |
O5N6C40H56 |
A5B6C40D56 |
-236.27 |
9.77 |
-8.73 |
-0.54 |
0 |
|
|
112102 |
50394628 |
1 |
O5N6C38H54 |
A5B6C38D54 |
-238.06 |
5.32 |
-8.61 |
-0.23 |
0 |
|
|
112103 |
50394828 |
1 |
FN6O6C40H51 |
AB6C6D40E51 |
-282.4 |
5.36 |
-8.56 |
-0.55 |
0 |
|
|
112104 |
50394943 |
1 |
ClO5N6C39H53 |
AB5C6D39E53 |
-229.7 |
5.62 |
-8.86 |
-0.59 |
0 |
|
|
112105 |
50394980 |
1 |
F2O3N4C31H34 |
A2B3C4D31E34 |
-183.28 |
5.76 |
-8.9 |
-0.24 |
0 |
|
|
112106 |
50394989 |
1 |
FN5O5C35H40 |
AB5C5D35E40 |
-203.79 |
5.74 |
-9.08 |
-0.6 |
0 |
|
|
112107 |
50395035 |
1 |
ClO5N6C39H55 |
AB5C6D39E55 |
-253.99 |
7.47 |
-8.66 |
-0.26 |
0 |
|
|
112108 |
50395036 |
1 |
ClO5N6C40H51 |
AB5C6D40E51 |
-213.28 |
7.27 |
-8.79 |
-0.49 |
0 |
|
|
112109 |
50395037 |
1 |
O5N6C39H54 |
A5B6C39D54 |
-228.05 |
4.41 |
-8.9 |
-0.3 |
0 |
|
|
112110 |
50395122 |
3 |
FN2O2C14H15 |
AB2C2D14E15 |
-324.23 |
3.43 |
-8.59 |
-0.7 |
0 |
|
|
112111 |
50395142 |
1 |
ClO5N6C40H51 |
AB5C6D40E51 |
-213.41 |
5.07 |
-8.55 |
-0.54 |
0 |
|
|
112112 |
50395143 |
2 |
N3O3C20H28 |
A3B3C20D28 |
-259.21 |
4.39 |
-8.69 |
-0.22 |
0 |
|
|
112113 |
50395144 |
1 |
N6O7C38H52 |
A6B7C38D52 |
-281.09 |
9.2 |
-8.95 |
-0.53 |
0 |
|
|
112114 |
50395145 |
3 |
N2O2C13H18 |
A2B2C13D18 |
-264.51 |
7.06 |
-8.67 |
-0.25 |
0 |
|
|
112115 |
50395563 |
1 |
Cl2O4N5C32H41 |
A2B4C5D32E41 |
-192.91 |
2.77 |
-8.87 |
-0.29 |
0 |
|
|
112116 |
50395732 |
1 |
FO4N5C39H42 |
AB4C5D39E42 |
-154.35 |
8.21 |
-8.54 |
-0.53 |
0 |
|
|
112117 |
50395756 |
1 |
F3O5N6C42H45 |
A3B5C6D42E45 |
-294.3 |
5.94 |
-8.9 |
-0.62 |
0 |
|
|
112118 |
50395951 |
1 |
F2O4N5C39H41 |
A2B4C5D39E41 |
-194.83 |
3.24 |
-8.83 |
-0.58 |
0 |
|
|
112119 |
50396030 |
1 |
FO5N6C40H49 |
AB5C6D40E49 |
-236.99 |
11.66 |
-8.67 |
-0.52 |
0 |
|
|
112120 |
50396031 |
1 |
F2O5N6C39H46 |
A2B5C6D39E46 |
-270.66 |
5.07 |
-8.9 |
-0.67 |
0 |
|
|
112121 |
50396070 |
1 |
F2O5N6C38H46 |
A2B5C6D38E46 |
-277.23 |
6.44 |
-9.0 |
-0.9 |
0 |
|
|
112122 |
50396071 |
1 |
F2O5N6C41H50 |
A2B5C6D41E50 |
-285.43 |
3.65 |
-9.0 |
-0.6 |
0 |
|
|
112123 |
50396072 |
1 |
F2O5N6C38H46 |
A2B5C6D38E46 |
-280.69 |
2.57 |
-8.97 |
-0.72 |
0 |
|
|
112124 |
50396093 |
1 |
F2O5N6C40H50 |
A2B5C6D40E50 |
-296.24 |
9.23 |
-8.37 |
-0.49 |
0 |
|
|
112125 |
50396145 |
1 |
F2O5N6C40H48 |
A2B5C6D40E48 |
-282.36 |
4.84 |
-8.74 |
-0.89 |
0 |
|
|
112126 |
50396242 |
1 |
O5N6C34H46 |
A5B6C34D46 |
-213.47 |
10.39 |
-8.7 |
-0.77 |
0 |
|
|
112127 |
50396243 |
1 |
O5N6C35H48 |
A5B6C35D48 |
-217.11 |
5.16 |
-9.17 |
-0.53 |
0 |
|
|
112128 |
50396244 |
1 |
O5N6C35H46 |
A5B6C35D46 |
-212.13 |
2.35 |
-8.73 |
-0.57 |
0 |
|
|
112129 |
50396245 |
1 |
O5N6C36H48 |
A5B6C36D48 |
-214.37 |
9.62 |
-8.73 |
-0.58 |
0 |
|
|
112130 |
50396246 |
1 |
O5N6C37H50 |
A5B6C37D50 |
-213.51 |
11.24 |
-8.73 |
-0.83 |
0 |
|
|
112131 |
50396247 |
1 |
N6O6C35H46 |
A6B6C35D46 |
-238.03 |
2.07 |
-8.96 |
-0.44 |
0 |
|
|
112132 |
50396248 |
1 |
O5N6C36H48 |
A5B6C36D48 |
-226.17 |
1.38 |
-8.78 |
-0.34 |
0 |
|
|
112133 |
50396249 |
1 |
ClO5N6C37H43 |
AB5C6D37E43 |
-184.2 |
2.77 |
-8.82 |
-0.74 |
0 |
|
|
112134 |
50396250 |
1 |
O5N6C34H46 |
A5B6C34D46 |
-226.26 |
6.17 |
-8.61 |
-0.22 |
0 |
|
|
112135 |
50396463 |
1 |
Cl2O4N5C34H43 |
A2B4C5D34E43 |
-183.85 |
3.83 |
-8.96 |
-0.48 |
0 |
|
|
112136 |
50396522 |
1 |
N5O5C32H43 |
A5B5C32D43 |
-204.68 |
3.42 |
-8.96 |
-0.25 |
0 |
|
|
112137 |
50396568 |
1 |
O5N6C36H50 |
A5B6C36D50 |
-227.39 |
9.26 |
-8.55 |
-0.92 |
0 |
|
|
112138 |
50396592 |
1 |
ClF3O4N5C34H43 |
AB3C4D5E34F43 |
-347.18 |
3.82 |
-8.78 |
-1.15 |
0 |
|
|
112139 |
50396593 |
1 |
F3N5O5C34H44 |
A3B5C5D34E44 |
-378.81 |
9.21 |
-9.07 |
-0.61 |
0 |
|
|
112140 |
50396594 |
1 |
FO4N5C33H44 |
AB4C5D33E44 |
-229.07 |
5.2 |
-8.84 |
-0.31 |
0 |
|
|
112141 |
50396730 |
2 |
N3O3C19H26 |
A3B3C19D26 |
-252.96 |
8.22 |
-9.26 |
-0.56 |
0 |
|
|
112142 |
50396731 |
1 |
O5N6C39H54 |
A5B6C39D54 |
-232.13 |
7.13 |
-9.02 |
-0.37 |
0 |
|
|
112143 |
50396732 |
1 |
O4N5C36H49 |
A4B5C36D49 |
-181.63 |
8.01 |
-8.62 |
-0.11 |
0 |
|
|
112144 |
50396748 |
1 |
ClO5N6C36H47 |
AB5C6D36E47 |
-214.65 |
7.44 |
-8.86 |
-0.57 |
0 |
|
|
112145 |
50396840 |
1 |
ClO5N6C37H49 |
AB5C6D37E49 |
-225.8 |
5.33 |
-9.0 |
-0.62 |
0 |
|
|
112146 |
50396889 |
1 |
ClO5N6C38H51 |
AB5C6D38E51 |
-220.77 |
5.61 |
-9.03 |
-1.04 |
0 |
|
|
112147 |
50396963 |
1 |
O5N6C39H54 |
A5B6C39D54 |
-215.36 |
3.06 |
-8.82 |
-0.58 |
0 |
|
|
112148 |
50397022 |
1 |
N6O6C39H52 |
A6B6C39D52 |
-245.24 |
7.1 |
-8.86 |
-0.27 |
0 |
|
|
112149 |
50397159 |
1 |
O5N6C36H48 |
A5B6C36D48 |
-206.08 |
9.81 |
-8.83 |
-0.23 |
0 |
|
|
112150 |
50397343 |
1 |
BrO5N6C31H39 |
AB5C6D31E39 |
-204.53 |
9.88 |
-9.03 |
-0.68 |
0 |
|
|
112151 |
50397356 |
1 |
ClO5N6C38H45 |
AB5C6D38E45 |
-197.3 |
3.28 |
-8.79 |
-0.5 |
0 |
|
|
112152 |
50397639 |
1 |
ClO5N6C35H45 |
AB5C6D35E45 |
-214.43 |
5.8 |
-8.94 |
-0.46 |
0 |
|
|
112153 |
50397640 |
1 |
ClO5N6C36H47 |
AB5C6D36E47 |
-227.6 |
3.06 |
-8.8 |
-0.57 |
0 |
|
|
112154 |
50397641 |
1 |
ClO5N6C37H49 |
AB5C6D37E49 |
-230.89 |
6.74 |
-8.74 |
-0.89 |
0 |
|
|
112155 |
50397661 |
1 |
O5N6C35H48 |
A5B6C35D48 |
-227.02 |
9.23 |
-8.96 |
-0.23 |
0 |
|
|
112156 |
50397662 |
1 |
O5N6C39H52 |
A5B6C39D52 |
-225.73 |
5.57 |
-8.92 |
-0.21 |
0 |
|
|
112157 |
50397663 |
1 |
O5N6C40H54 |
A5B6C40D54 |
-232.17 |
10.08 |
-8.77 |
-0.18 |
0 |
|
|
112158 |
50397692 |
1 |
O5N6C36H48 |
A5B6C36D48 |
-225.63 |
5.86 |
-8.83 |
-0.23 |
0 |
|
|
112159 |
50397717 |
1 |
ClO5N6C35H47 |
AB5C6D35E47 |
-234.94 |
4.54 |
-8.74 |
-0.45 |
0 |
|
|
112160 |
50397718 |
1 |
F2O5N6C41H50 |
A2B5C6D41E50 |
-293.77 |
6.94 |
-8.85 |
-0.53 |
0 |
|
|
112161 |
50397719 |
1 |
F2O5N6C41H50 |
A2B5C6D41E50 |
-290.86 |
5.4 |
-8.83 |
-0.33 |
0 |
|
|
112162 |
50397738 |
1 |
O5N6C42H58 |
A5B6C42D58 |
-232.62 |
8.43 |
-8.74 |
-0.31 |
0 |
|
|
112163 |
50397739 |
2 |
N3O3C20H27 |
A3B3C20D27 |
-243.75 |
10.09 |
-8.73 |
-0.33 |
0 |
|
|
112164 |
50397791 |
1 |
O5N6C38H52 |
A5B6C38D52 |
-229.91 |
2.87 |
-8.78 |
-0.28 |
0 |