List Systems
Back
Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
65251 |
29204669 |
1 |
Cl2N3O4C23H27 |
A2B3C4D23E27 |
-148.54 |
4.26 |
-8.86 |
-0.29 |
0 |
|
|
65252 |
29204670 |
1 |
Cl3O3N4H21C22 |
A3B3C4D21E22 |
-50.63 |
4.97 |
-8.89 |
-0.62 |
0 |
|
|
65253 |
29204671 |
1 |
Cl3O3N4H19C21 |
A3B3C4D19E21 |
-45.12 |
3.87 |
-9.07 |
-0.92 |
0 |
|
|
65254 |
29204673 |
1 |
Cl2O3N4C23H24 |
A2B3C4D23E24 |
-58.49 |
4.49 |
-8.93 |
-0.42 |
0 |
|
|
65255 |
29204674 |
1 |
Cl2O3N4C24H26 |
A2B3C4D24E26 |
-68.75 |
3.89 |
-8.95 |
-0.44 |
0 |
|
|
65256 |
29204675 |
1 |
FCl3O3N4H18C21 |
AB3C3D4E18F21 |
-91.46 |
1.62 |
-9.12 |
-1.06 |
0 |
|
|
65257 |
29204677 |
1 |
Cl2N4O4C19H20 |
A2B4C4D19E20 |
-123.58 |
1.36 |
-9.12 |
-0.62 |
0 |
|
|
65258 |
29204678 |
1 |
Cl2O3N4C21H22 |
A2B3C4D21E22 |
-61.72 |
5.43 |
-8.95 |
-0.52 |
0 |
|
|
65259 |
29204679 |
1 |
Cl2N4O5C19H20 |
A2B4C5D19E20 |
-84.91 |
7.62 |
-9.11 |
-1.0 |
0 |
|
|
65260 |
29204680 |
1 |
Cl2N3O4C18H21 |
A2B3C4D18E21 |
-111.49 |
2.91 |
-8.99 |
-0.58 |
0 |
|
|
65261 |
29204681 |
1 |
Cl2O3N4C23H24 |
A2B3C4D23E24 |
-55.73 |
4.92 |
-9.0 |
-0.48 |
0 |
|
|
65262 |
29204682 |
1 |
SCl2N3O4C18H21 |
AB2C3D4E18F21 |
-150.87 |
2.86 |
-8.8 |
-0.51 |
0 |
|
|
65263 |
29204683 |
2 |
ClN2O2C11H13 |
AB2C2D11E13 |
-142.26 |
3.49 |
-9.12 |
-0.57 |
0 |
|
|
65264 |
29204684 |
1 |
SCl2N3O4C21H21 |
AB2C3D4E21F21 |
-125.69 |
3.16 |
-8.71 |
-0.58 |
-1 |
|
|
65265 |
29207476 |
1 |
SN4O4H11C14 |
AB4C4D11E14 |
-21.09 |
9.51 |
0.0 |
0.0 |
0 |
|
|
65266 |
29211822 |
1 |
N7H19C21 |
A7B19C21 |
198.11 |
6.14 |
-8.98 |
-1.42 |
0 |
|
|
65267 |
29211835 |
1 |
SO2N5C23H27 |
AB2C5D23E27 |
22.65 |
3.9 |
-8.71 |
-0.12 |
0 |
|
|
65268 |
29211851 |
1 |
SO3N4C20H26 |
AB3C4D20E26 |
-60.93 |
6.94 |
-9.47 |
-1.0 |
1 |
|
|
65269 |
29211853 |
1 |
O2N3C20H30 |
A2B3C20D30 |
-7.83 |
6.71 |
0.0 |
0.0 |
0 |
|
|
65270 |
29211858 |
1 |
O2N3C17H29 |
A2B3C17D29 |
-99.22 |
2.14 |
-9.07 |
0.53 |
0 |
|
|
65271 |
29211860 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-23.36 |
4.11 |
-8.5 |
0.0 |
0 |
|
|
65272 |
29211862 |
1 |
O2N3C17H29 |
A2B3C17D29 |
-104.68 |
3.23 |
-9.21 |
0.38 |
0 |
|
|
65273 |
29211876 |
1 |
FOSN6H25C26 |
ABCD6E25F26 |
51.78 |
10.9 |
-8.59 |
-0.41 |
0 |
|
|
65274 |
29211880 |
1 |
SO2N5C23H27 |
AB2C5D23E27 |
16.71 |
6.99 |
-8.58 |
-0.15 |
1 |
|
|
65275 |
29211883 |
1 |
ON3C24H30 |
AB3C24D30 |
51.09 |
16.63 |
0.0 |
0.0 |
0 |
|
|
65276 |
29211885 |
1 |
SO2N5C22H29 |
AB2C5D22E29 |
-1.74 |
4.72 |
-8.39 |
-0.5 |
0 |
|
|
65277 |
29211886 |
1 |
SO2N5C22H25 |
AB2C5D22E25 |
27.04 |
7.11 |
-8.57 |
-0.14 |
0 |
|
|
65278 |
29211889 |
1 |
ON4C24H32 |
AB4C24D32 |
9.31 |
7.5 |
-8.8 |
-0.04 |
0 |
|
|
65279 |
29211892 |
1 |
ON4C24H32 |
AB4C24D32 |
9.17 |
6.78 |
-8.8 |
0.0 |
0 |
|
|
65280 |
29211895 |
1 |
SN3O3C20H27 |
AB3C3D20E27 |
-61.35 |
5.23 |
-9.31 |
-0.96 |
0 |
|
|
65281 |
29211897 |
1 |
SN3O3C20H27 |
AB3C3D20E27 |
-67.26 |
5.44 |
-9.35 |
-0.78 |
0 |
|
|
65282 |
29211899 |
1 |
SO3N6H26C27 |
AB3C6D26E27 |
24.06 |
8.38 |
-8.86 |
-0.66 |
0 |
|
|
65283 |
29211900 |
1 |
SO3N5C26H35 |
AB3C5D26E35 |
-82.72 |
7.96 |
-8.85 |
-0.85 |
0 |
|
|
65284 |
29211901 |
1 |
ClOSN4C19H25 |
ABCD4E19F25 |
24.03 |
3.61 |
-8.69 |
-0.2 |
0 |
|
|
65285 |
29211902 |
1 |
SO3N5C26H35 |
AB3C5D26E35 |
-78.64 |
3.47 |
-9.07 |
-0.51 |
0 |
|
|
65286 |
29211904 |
1 |
OSN6C29H32 |
ABC6D29E32 |
82.86 |
8.22 |
-8.43 |
-0.27 |
1 |
|
|
65287 |
29211906 |
1 |
ON3C21H32 |
AB3C21D32 |
-13.3 |
3.78 |
0.0 |
0.0 |
0 |
|
|
65288 |
29211907 |
1 |
OSN7C27H29 |
ABC7D27E29 |
110.64 |
8.83 |
-7.74 |
-0.29 |
0 |
|
|
65289 |
29211909 |
1 |
SN3O3C21H31 |
AB3C3D21E31 |
-101.52 |
5.6 |
-9.16 |
-0.88 |
1 |
|
|
65290 |
29211913 |
1 |
SO2N5C21H24 |
AB2C5D21E24 |
40.32 |
14.91 |
0.0 |
0.0 |
0 |
|
|
65291 |
29211924 |
1 |
FN3O3H24C25 |
AB3C3D24E25 |
-93.08 |
6.59 |
-9.18 |
-1.75 |
0 |
|
|
65292 |
29211931 |
1 |
OSN5C21H23 |
ABC5D21E23 |
103.92 |
7.46 |
-8.5 |
-0.17 |
0 |
|
|
65293 |
29211932 |
1 |
N3O3C26H27 |
A3B3C26D27 |
-44.9 |
4.11 |
-9.42 |
-1.71 |
0 |
|
|
65294 |
29211941 |
1 |
O2N4C19H30 |
A2B4C19D30 |
-73.52 |
4.08 |
-8.77 |
-1.11 |
0 |
|
|
65295 |
29211942 |
1 |
SO2N3C21H29 |
AB2C3D21E29 |
-64.92 |
5.43 |
-8.54 |
-0.28 |
1 |
|
|
65296 |
29211945 |
1 |
O3N4C23H25 |
A3B4C23D25 |
-8.97 |
5.18 |
0.0 |
0.0 |
0 |
|
|
65297 |
29211946 |
1 |
O3N4C23H24 |
A3B4C23D24 |
-22.29 |
2.34 |
-8.77 |
-0.35 |
0 |
|
|
65298 |
29211951 |
1 |
SN3O3C19H27 |
AB3C3D19E27 |
-91.79 |
7.29 |
-9.44 |
0.07 |
0 |
|
|
65299 |
29211955 |
1 |
SN3O3C19H27 |
AB3C3D19E27 |
-91.18 |
3.27 |
-9.2 |
0.03 |
1 |
|
|
65300 |
29211956 |
1 |
N2O4C22H25 |
A2B4C22D25 |
-55.02 |
2.59 |
0.0 |
0.0 |
0 |
|
|
65301 |
29211957 |
2 |
NO2C11H12 |
AB2C11D12 |
-71.98 |
4.21 |
-8.41 |
-0.45 |
0 |
|
|
65302 |
29211960 |
1 |
O4N5C27H37 |
A4B5C27D37 |
-84.27 |
7.4 |
-8.63 |
-0.62 |
0 |
|
|
65303 |
29211977 |
1 |
SN3O3C22H31 |
AB3C3D22E31 |
-96.84 |
1.72 |
-9.13 |
-0.64 |
0 |
|
|
65304 |
29211980 |
1 |
SN3O3C26H33 |
AB3C3D26E33 |
-70.89 |
3.06 |
-9.03 |
-0.52 |
0 |
|
|
65305 |
29211983 |
1 |
SN3O3C26H33 |
AB3C3D26E33 |
-76.0 |
5.62 |
-9.13 |
-0.42 |
0 |
|
|
65306 |
29211987 |
1 |
ION2C17H21 |
ABC2D17E21 |
10.97 |
5.07 |
-9.23 |
-0.92 |
0 |
|
|
65307 |
29212001 |
1 |
OSN6C26H26 |
ABC6D26E26 |
99.22 |
3.33 |
-8.85 |
-0.39 |
0 |
|
|
65308 |
29212007 |
1 |
OSN2C18H26 |
ABC2D18E26 |
-22.04 |
6.18 |
-8.92 |
-0.59 |
0 |
|
|
65309 |
29212039 |
1 |
SO2N6C27H28 |
AB2C6D27E28 |
65.47 |
3.02 |
-8.51 |
-0.22 |
0 |
|
|
65310 |
29212040 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-11.72 |
9.21 |
-9.01 |
-1.01 |
0 |
|
|
65311 |
29212042 |
1 |
SO3N4C23H28 |
AB3C4D23E28 |
-92.0 |
6.49 |
-8.86 |
-0.66 |
0 |
|
|
65312 |
29212044 |
2 |
OSN2C11H14 |
ABC2D11E14 |
-44.12 |
5.8 |
-8.59 |
-1.0 |
0 |
|
|
65313 |
29212050 |
1 |
ON6C18H22 |
AB6C18D22 |
73.32 |
6.58 |
-9.29 |
-1.03 |
0 |
|
|
65314 |
29212052 |
1 |
O2N3C26H31 |
A2B3C26D31 |
-29.05 |
3.52 |
-8.07 |
0.04 |
-1 |
|
|
65315 |
29212054 |
1 |
ON6C18H21 |
AB6C18D21 |
104.58 |
7.42 |
0.0 |
0.0 |
0 |
|
|
65316 |
29212055 |
1 |
ON6C18H22 |
AB6C18D22 |
73.31 |
6.66 |
-9.29 |
-1.02 |
0 |
|
|
65317 |
29212056 |
2 |
NO2C11H13 |
AB2C11D13 |
-83.37 |
4.52 |
-8.46 |
-0.43 |
0 |
|
|
65318 |
29212058 |
1 |
OSN6H28C30 |
ABC6D28E30 |
126.75 |
2.96 |
-8.77 |
-0.81 |
0 |
|
|
65319 |
29212061 |
1 |
FSO2N3C21H28 |
ABC2D3E21F28 |
-110.79 |
7.63 |
-8.82 |
-0.36 |
1 |
|
|
65320 |
29212064 |
1 |
O3N4C30H35 |
A3B4C30D35 |
-48.47 |
7.64 |
0.0 |
0.0 |
0 |
|
|
65321 |
29214636 |
1 |
SN3O3C17H25 |
AB3C3D17E25 |
-95.03 |
6.7 |
-8.37 |
-0.92 |
1 |
|
|
65322 |
29214637 |
1 |
SN3O4C27H34 |
AB3C4D27E34 |
-108.3 |
17.1 |
0.0 |
0.0 |
0 |
|
|
65323 |
29214642 |
1 |
BrOSN9C20H26 |
ABCD9E20F26 |
95.66 |
4.09 |
-8.93 |
-0.45 |
0 |
|
|
65324 |
29214648 |
1 |
FOSN4C19H25 |
ABCD4E19F25 |
-41.81 |
1.98 |
-8.6 |
-0.57 |
0 |
|
|
65325 |
29214654 |
2 |
NOC10H17 |
ABC10D17 |
-96.9 |
4.67 |
-8.48 |
0.44 |
0 |
|
|
65326 |
29214663 |
1 |
FSO2N5C24H28 |
ABC2D5E24F28 |
-57.32 |
3.93 |
-8.46 |
-0.65 |
0 |
|
|
65327 |
29214667 |
1 |
ClN2O2C18H21 |
AB2C2D18E21 |
-29.57 |
2.12 |
-9.41 |
-0.48 |
0 |
|
|
65328 |
29214670 |
1 |
SN3O3C20H29 |
AB3C3D20E29 |
-80.95 |
6.63 |
-8.73 |
-0.34 |
0 |
|
|
65329 |
29214672 |
1 |
SO3N4C27H28 |
AB3C4D27E28 |
-30.78 |
1.97 |
-8.89 |
-0.57 |
0 |
|
|
65330 |
29214676 |
2 |
N2C8H11 |
A2B8C11 |
51.66 |
3.35 |
-9.15 |
-0.07 |
2 |
|
|
65331 |
29214679 |
4 |
NC4H6 |
AB4C6 |
83.25 |
11.89 |
-6.85 |
-0.14 |
0 |
|
|
65332 |
29214683 |
1 |
N5C29H37 |
A5B29C37 |
87.55 |
1.87 |
-8.31 |
0.23 |
0 |
|
|
65333 |
29214694 |
2 |
ON3C8H12 |
AB3C8D12 |
-14.0 |
5.58 |
-8.96 |
-0.13 |
0 |
|
|
65334 |
29214699 |
1 |
SN8C16H26 |
AB8C16D26 |
104.97 |
6.81 |
-8.6 |
-0.25 |
0 |
|
|
65335 |
29214701 |
1 |
SN8C17H28 |
AB8C17D28 |
103.42 |
7.79 |
-8.64 |
-0.36 |
0 |
|
|
65336 |
29214706 |
1 |
SF2O2N4C18H26 |
AB2C2D4E18F26 |
-155.96 |
7.17 |
-8.36 |
-1.13 |
0 |
|
|
65337 |
29214710 |
1 |
SO2N10C24H32 |
AB2C10D24E32 |
61.09 |
7.9 |
-8.41 |
-0.47 |
0 |
|
|
65338 |
29214714 |
1 |
SO2N10C23H30 |
AB2C10D23E30 |
53.0 |
11.25 |
-8.51 |
-0.29 |
0 |
|
|
65339 |
29214720 |
1 |
OS3N5C20H23 |
AB3C5D20E23 |
63.02 |
4.67 |
-8.64 |
-1.51 |
0 |
|
|
65340 |
29214723 |
1 |
ClSO2N3C17H26 |
ABC2D3E17F26 |
-74.5 |
7.29 |
-8.66 |
-0.56 |
0 |
|
|
65341 |
29214724 |
1 |
SO3N9C22H29 |
AB3C9D22E29 |
25.67 |
10.39 |
-8.05 |
-0.64 |
0 |
|
|
65342 |
29214727 |
1 |
OS2N3C16H25 |
AB2C3D16E25 |
-15.07 |
8.07 |
-8.24 |
-0.35 |
0 |
|
|
65343 |
29214731 |
1 |
O2N3C27H35 |
A2B3C27D35 |
-24.86 |
2.19 |
-8.81 |
0.24 |
0 |
|
|
65344 |
29214738 |
1 |
OSN9C21H29 |
ABC9D21E29 |
97.99 |
5.61 |
-8.44 |
-0.19 |
0 |
|
|
65345 |
29214740 |
1 |
FSO2N3C14H20 |
ABC2D3E14F20 |
-90.79 |
5.11 |
-8.7 |
-0.29 |
0 |
|
|
65346 |
29214743 |
1 |
SO2N3C21H27 |
AB2C3D21E27 |
-17.98 |
3.71 |
-8.74 |
-0.2 |
0 |
|
|
65347 |
29214750 |
1 |
ClS2O3N4C22H27 |
AB2C3D4E22F27 |
-36.72 |
4.91 |
-8.58 |
-1.49 |
0 |
|
|
65348 |
29214753 |
1 |
OS2N4C17H24 |
AB2C4D17E24 |
2.56 |
3.46 |
-8.71 |
-0.64 |
0 |
|
|
65349 |
29214758 |
1 |
N7C21H33 |
A7B21C33 |
68.93 |
4.98 |
-8.71 |
0.53 |
0 |
|
|
65350 |
29214760 |
1 |
OS2N10C23H30 |
AB2C10D23E30 |
105.87 |
4.65 |
-8.61 |
-0.6 |
0 |