List Systems
Back
Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
78752 |
49718180 |
2 |
NO2C8H11 |
AB2C8D11 |
-163.21 |
0.91 |
-8.9 |
-0.23 |
0 |
|
|
78753 |
49718181 |
2 |
NO2C8H11 |
AB2C8D11 |
-164.59 |
1.08 |
-8.91 |
-0.06 |
0 |
|
|
78754 |
49718182 |
2 |
NO2C8H11 |
AB2C8D11 |
-163.45 |
2.32 |
-9.09 |
-0.27 |
0 |
|
|
78755 |
49718183 |
2 |
NO2C8H11 |
AB2C8D11 |
-164.93 |
1.5 |
-8.69 |
-0.56 |
0 |
|
|
78756 |
49718184 |
1 |
N3O5C14H17 |
A3B5C14D17 |
-127.26 |
9.09 |
-9.86 |
-1.51 |
0 |
|
|
78757 |
49718185 |
1 |
N3O5C14H17 |
A3B5C14D17 |
-125.78 |
4.33 |
-9.73 |
-1.56 |
0 |
|
|
78758 |
49718186 |
1 |
SN2O3C15H20 |
AB2C3D15E20 |
-119.65 |
3.46 |
-8.74 |
-0.7 |
0 |
|
|
78759 |
49718187 |
1 |
SN2O3C15H20 |
AB2C3D15E20 |
-122.21 |
3.28 |
-8.88 |
-0.65 |
0 |
|
|
78760 |
49718188 |
1 |
ClN2O3C15H19 |
AB2C3D15E19 |
-133.53 |
2.06 |
-9.56 |
-0.39 |
0 |
|
|
78761 |
49718189 |
1 |
ClN2O3C15H19 |
AB2C3D15E19 |
-137.33 |
3.37 |
-9.21 |
-0.77 |
0 |
|
|
78762 |
49718191 |
1 |
ClN2O3C15H19 |
AB2C3D15E19 |
-137.52 |
0.61 |
-9.11 |
-0.79 |
0 |
|
|
78763 |
49718192 |
1 |
ClN2O3C15H19 |
AB2C3D15E19 |
-136.33 |
2.6 |
-9.18 |
-0.82 |
0 |
|
|
78764 |
49718199 |
1 |
N3O5C15H19 |
A3B5C15D19 |
-131.62 |
2.7 |
-9.5 |
-1.58 |
0 |
|
|
78765 |
49718200 |
1 |
N3O5C15H19 |
A3B5C15D19 |
-130.79 |
8.03 |
-9.93 |
-1.53 |
0 |
|
|
78766 |
49718202 |
1 |
ClN3O3C15H16 |
AB3C3D15E16 |
-93.61 |
1.92 |
-9.9 |
-1.16 |
0 |
|
|
78767 |
49718203 |
1 |
N2O5C16H22 |
A2B5C16D22 |
-196.04 |
5.32 |
-8.3 |
-0.3 |
0 |
|
|
78768 |
49718204 |
1 |
N2O5C16H22 |
A2B5C16D22 |
-201.02 |
2.28 |
-8.36 |
-0.27 |
0 |
|
|
78769 |
49718205 |
1 |
N2O5C16H22 |
A2B5C16D22 |
-188.86 |
4.26 |
-8.31 |
-0.49 |
0 |
|
|
78770 |
49718207 |
1 |
ClN2O4C15H19 |
AB2C4D15E19 |
-158.42 |
4.35 |
-8.83 |
-0.74 |
0 |
|
|
78771 |
49718209 |
1 |
N2F3O3C15H17 |
A2B3C3D15E17 |
-284.58 |
6.41 |
-9.62 |
-1.05 |
0 |
|
|
78772 |
49718210 |
1 |
N2F3O3C15H17 |
A2B3C3D15E17 |
-282.97 |
5.57 |
-9.51 |
-0.86 |
0 |
|
|
78773 |
49718213 |
2 |
NOC7H10 |
ABC7D10 |
-96.1 |
2.64 |
-8.77 |
0.24 |
0 |
|
|
78774 |
49718215 |
1 |
FN2O2C13H17 |
AB2C2D13E17 |
-132.09 |
2.43 |
-8.92 |
-0.08 |
0 |
|
|
78775 |
49718666 |
1 |
O3N4C18H18 |
A3B4C18D18 |
-34.62 |
6.32 |
-8.42 |
-1.34 |
0 |
|
|
78776 |
49718667 |
1 |
O3N4C18H18 |
A3B4C18D18 |
-33.02 |
3.46 |
-8.35 |
-1.16 |
0 |
|
|
78777 |
49718670 |
1 |
N4O4C21H22 |
A4B4C21D22 |
-93.16 |
4.97 |
-9.27 |
-1.56 |
0 |
|
|
78778 |
49720287 |
1 |
SO2N5C13H17 |
AB2C5D13E17 |
-27.03 |
3.08 |
-9.25 |
-1.15 |
0 |
|
|
78779 |
49720288 |
1 |
SO2N5C14H19 |
AB2C5D14E19 |
-25.24 |
5.75 |
-9.14 |
-0.94 |
0 |
|
|
78780 |
49720290 |
1 |
ON4C17H18 |
AB4C17D18 |
26.8 |
3.5 |
-8.96 |
-0.66 |
0 |
|
|
78781 |
49720291 |
1 |
OSN4C15H16 |
ABC4D15E16 |
22.22 |
1.82 |
-8.7 |
-0.69 |
0 |
|
|
78782 |
49720292 |
1 |
F2O2N3C14H15 |
A2B2C3D14E15 |
-142.47 |
4.79 |
-9.23 |
-0.49 |
0 |
|
|
78783 |
49720304 |
1 |
SO3N6C16H16 |
AB3C6D16E16 |
-24.51 |
9.06 |
-9.31 |
-1.49 |
0 |
|
|
78784 |
49720306 |
1 |
SO4N5C19H19 |
AB4C5D19E19 |
-71.29 |
4.08 |
-9.03 |
-1.14 |
0 |
|
|
78785 |
49720336 |
1 |
N3O4H19C20 |
A3B4C19D20 |
-121.25 |
1.26 |
-8.74 |
-0.82 |
0 |
|
|
78786 |
49729326 |
1 |
ClFSO2N4H16C21 |
ABCD2E4F16G21 |
-49.32 |
3.54 |
-9.4 |
-1.32 |
0 |
|
|
78787 |
49729622 |
1 |
SO3N4C18H22 |
AB3C4D18E22 |
-51.37 |
4.61 |
-9.03 |
-0.44 |
0 |
|
|
78788 |
49731942 |
1 |
SN2O3C21H30 |
AB2C3D21E30 |
-120.59 |
3.35 |
-8.66 |
-0.51 |
0 |
|
|
78789 |
49731943 |
1 |
SN2O3C17H20 |
AB2C3D17E20 |
-69.8 |
4.74 |
-8.71 |
-0.55 |
0 |
|
|
78790 |
49731955 |
1 |
SN2O3C21H22 |
AB2C3D21E22 |
-67.55 |
3.84 |
-8.67 |
-0.52 |
0 |
|
|
78791 |
49731958 |
1 |
SN2O3C22H24 |
AB2C3D22E24 |
-74.97 |
5.17 |
-8.66 |
-0.5 |
0 |
|
|
78792 |
49731980 |
1 |
ClSN2O3H19C20 |
ABC2D3E19F20 |
-63.99 |
3.52 |
-8.66 |
-0.53 |
0 |
|
|
78793 |
49731983 |
1 |
BrSN2O3H19C20 |
ABC2D3E19F20 |
-54.55 |
4.64 |
-8.73 |
-0.66 |
0 |
|
|
78794 |
49731995 |
1 |
SN2F3O3H19C21 |
AB2C3D3E19F21 |
-216.26 |
6.09 |
-8.73 |
-0.9 |
0 |
|
|
78795 |
49731996 |
1 |
SN2F3O3H19C21 |
AB2C3D3E19F21 |
-213.77 |
4.31 |
-8.85 |
-0.96 |
0 |
|
|
78796 |
49731997 |
1 |
SN2F3O3H19C21 |
AB2C3D3E19F21 |
-219.11 |
5.88 |
-8.79 |
-0.98 |
0 |
|
|
78797 |
49731999 |
1 |
SN2O3H22C24 |
AB2C3D22E24 |
-41.7 |
4.12 |
-8.7 |
-0.76 |
0 |
|
|
78798 |
49732000 |
1 |
SN2O4C26H26 |
AB2C4D26E26 |
-90.63 |
2.75 |
-8.67 |
-0.72 |
0 |
|
|
78799 |
49732001 |
1 |
SN2O3H24C26 |
AB2C3D24E26 |
-32.49 |
4.61 |
-8.7 |
-0.54 |
0 |
|
|
78800 |
49732003 |
1 |
SN2O5C24H26 |
AB2C5D24E26 |
-120.88 |
5.95 |
-8.56 |
-0.56 |
0 |
|
|
78801 |
49732005 |
1 |
SN2O6C25H28 |
AB2C6D25E28 |
-157.84 |
5.63 |
-8.68 |
-0.52 |
0 |
|
|
78802 |
49732006 |
1 |
SN2O4C21H22 |
AB2C4D21E22 |
-97.04 |
2.85 |
-8.71 |
-0.57 |
0 |
|
|
78803 |
49732778 |
1 |
N2S2O3C22H24 |
A2B2C3D22E24 |
-63.72 |
2.63 |
-8.64 |
-0.57 |
0 |
|
|
78804 |
49732779 |
1 |
N2S2O5C22H24 |
A2B2C5D22E24 |
-140.83 |
9.78 |
-8.76 |
-0.83 |
0 |
|
|
78805 |
49732804 |
1 |
N2S2O5C22H24 |
A2B2C5D22E24 |
-147.31 |
6.65 |
-8.73 |
-0.68 |
0 |
|
|
78806 |
49732850 |
1 |
F2N2S2O4C23H24 |
A2B2C2D4E23F24 |
-206.26 |
5.48 |
-9.52 |
-1.1 |
0 |
|
|
78807 |
49733145 |
1 |
SF2O2N4C18H18 |
AB2C2D4E18F18 |
-98.63 |
1.58 |
-9.45 |
-1.04 |
0 |
|
|
78808 |
49733146 |
1 |
SF2O2N4C19H20 |
AB2C2D4E19F20 |
-105.54 |
2.86 |
-9.44 |
-1.02 |
0 |
|
|
78809 |
49733147 |
1 |
SF2O2N4C18H18 |
AB2C2D4E18F18 |
-95.9 |
2.98 |
-9.47 |
-1.04 |
0 |
|
|
78810 |
49733780 |
1 |
SF2O2N3C17H21 |
AB2C2D3E17F21 |
-158.65 |
2.03 |
-9.35 |
-0.96 |
0 |
|
|
78811 |
49733781 |
1 |
SF2O2N3C19H23 |
AB2C2D3E19F23 |
-156.46 |
4.96 |
-9.35 |
-0.93 |
0 |
|
|
78812 |
49733783 |
1 |
ClSF2O2N3H16C19 |
ABC2D2E3F16G19 |
-117.57 |
3.67 |
-9.07 |
-1.1 |
0 |
|
|
78813 |
49734164 |
1 |
N2S2O5C21H24 |
A2B2C5D21E24 |
-139.98 |
6.09 |
-8.68 |
-0.52 |
0 |
|
|
78814 |
49734166 |
1 |
N2S2O5C21H24 |
A2B2C5D21E24 |
-139.14 |
5.33 |
-8.54 |
-0.51 |
0 |
|
|
78815 |
49734167 |
1 |
S2N3O6C20H21 |
A2B3C6D20E21 |
-107.42 |
8.25 |
-8.73 |
-1.56 |
0 |
|
|
78816 |
49734326 |
2 |
NSO2C11H13 |
ABC2D11E13 |
-108.74 |
6.36 |
-8.53 |
-0.45 |
0 |
|
|
78817 |
49734345 |
1 |
F2N2S2O4H18C19 |
A2B2C2D4E18F19 |
-184.14 |
5.21 |
-9.31 |
-0.9 |
0 |
|
|
78818 |
49736282 |
1 |
SO2N6H18C22 |
AB2C6D18E22 |
64.35 |
4.93 |
-8.88 |
-1.23 |
0 |
|
|
78819 |
49737417 |
1 |
OSN5C21H23 |
ABC5D21E23 |
50.05 |
3.83 |
-8.8 |
-0.85 |
0 |
|
|
78820 |
49737746 |
1 |
ClSO2N4H17C18 |
ABC2D4E17F18 |
-10.85 |
7.05 |
-8.65 |
-0.84 |
0 |
|
|
78821 |
49737747 |
1 |
SO2N4C19H20 |
AB2C4D19E20 |
-11.48 |
4.77 |
-8.34 |
-0.79 |
0 |
|
|
78822 |
49737748 |
1 |
OSN4C20H22 |
ABC4D20E22 |
10.2 |
4.74 |
-8.61 |
-0.88 |
0 |
|
|
78823 |
49737749 |
1 |
SO3N5C20H21 |
AB3C5D20E21 |
-52.05 |
5.85 |
-8.13 |
-0.82 |
0 |
|
|
78824 |
49737751 |
1 |
OSN5C22H27 |
ABC5D22E27 |
14.57 |
3.49 |
-7.9 |
-0.79 |
0 |
|
|
78825 |
49737753 |
1 |
OS2N5H13C14 |
AB2C5D13E14 |
52.35 |
3.22 |
-8.61 |
-0.88 |
0 |
|
|
78826 |
49737754 |
1 |
OS2N5C15H15 |
AB2C5D15E15 |
45.92 |
4.86 |
-8.88 |
-0.96 |
0 |
|
|
78827 |
49737755 |
1 |
S2O3N5C18H19 |
A2B3C5D18E19 |
-45.5 |
5.12 |
-8.49 |
-0.56 |
0 |
|
|
78828 |
49737760 |
1 |
O3S3N5H17C19 |
A3B3C5D17E19 |
-15.37 |
8.31 |
-9.02 |
-1.29 |
0 |
|
|
78829 |
49737762 |
1 |
SO2N5H13C14 |
AB2C5D13E14 |
43.19 |
7.41 |
-9.0 |
-1.01 |
0 |
|
|
78830 |
49737773 |
1 |
OSN4C18H24 |
ABC4D18E24 |
-13.13 |
3.69 |
-8.64 |
-0.62 |
0 |
|
|
78831 |
49737794 |
1 |
OSN5C23H27 |
ABC5D23E27 |
26.82 |
4.25 |
-8.65 |
-0.63 |
0 |
|
|
78832 |
49737828 |
1 |
OSF3N6C21H21 |
ABC3D6E21F21 |
-116.27 |
6.41 |
-9.04 |
-1.05 |
0 |
|
|
78833 |
49737830 |
1 |
SO2F3N4H15C18 |
AB2C3D4E15F18 |
-160.22 |
3.96 |
-8.87 |
-0.78 |
0 |
|
|
78834 |
49737845 |
1 |
SO2N6H18C20 |
AB2C6D18E20 |
65.33 |
4.3 |
-8.86 |
-0.84 |
0 |
|
|
78835 |
49737846 |
1 |
OSN8H16C18 |
ABC8D16E18 |
121.41 |
10.81 |
-9.13 |
-1.14 |
0 |
|
|
78836 |
49737847 |
1 |
OS2N6H14C17 |
AB2C6D14E17 |
92.98 |
1.62 |
-8.88 |
-1.47 |
0 |
|
|
78837 |
49737864 |
1 |
SO2N4C15H18 |
AB2C4D15E18 |
-29.67 |
3.66 |
-8.9 |
-0.88 |
0 |
|
|
78838 |
49737865 |
1 |
OSN5C21H23 |
ABC5D21E23 |
42.79 |
3.51 |
-8.31 |
-0.9 |
0 |
|
|
78839 |
49737874 |
1 |
SO2N5C22H25 |
AB2C5D22E25 |
8.21 |
5.95 |
-8.25 |
-0.64 |
0 |
|
|
78840 |
49737875 |
1 |
SO3N5C20H21 |
AB3C5D20E21 |
-28.45 |
6.84 |
-9.0 |
-0.95 |
0 |
|
|
78841 |
49737893 |
1 |
OSN4C18H18 |
ABC4D18E18 |
34.06 |
3.95 |
-8.83 |
-0.82 |
0 |
|
|
78842 |
49737899 |
1 |
SO3N4H18C19 |
AB3C4D18E19 |
-30.26 |
4.05 |
-8.78 |
-0.77 |
0 |
|
|
78843 |
49737907 |
1 |
SO2N4C20H22 |
AB2C4D20E22 |
-10.31 |
5.59 |
-8.6 |
-0.56 |
0 |
|
|
78844 |
49737909 |
1 |
SO2N4C20H22 |
AB2C4D20E22 |
-11.34 |
4.83 |
-8.8 |
-0.76 |
0 |
|
|
78845 |
49737913 |
1 |
OSN4C16H22 |
ABC4D16E22 |
-13.74 |
4.21 |
-8.86 |
-0.84 |
0 |
|
|
78846 |
49737922 |
1 |
OSN4C19H20 |
ABC4D19E20 |
21.89 |
3.76 |
-8.57 |
-0.91 |
0 |
|
|
78847 |
49737925 |
1 |
FOSN4H15C17 |
ABCD4E15F17 |
-12.48 |
5.53 |
-8.97 |
-0.98 |
0 |
|
|
78848 |
49737927 |
1 |
ClOSN4H15C17 |
ABCD4E15F17 |
25.13 |
5.96 |
-9.03 |
-1.01 |
0 |
|
|
78849 |
49737928 |
1 |
ClOSN4H15C17 |
ABCD4E15F17 |
25.64 |
5.19 |
-8.86 |
-1.01 |
0 |
|
|
78850 |
49737969 |
1 |
ClOSN4H17C18 |
ABCD4E17F18 |
16.91 |
4.14 |
-8.91 |
-1.01 |
0 |
|
|
78851 |
49737972 |
1 |
FOSN4H17C18 |
ABCD4E17F18 |
-20.91 |
5.26 |
-8.8 |
-1.0 |
0 |