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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
64951 |
29204243 |
1 |
N2O3C17H20 |
A2B3C17D20 |
-77.43 |
4.15 |
-8.66 |
-0.5 |
0 |
|
|
64952 |
29204244 |
1 |
SO2N3C17H19 |
AB2C3D17E19 |
-28.57 |
4.14 |
-8.85 |
-0.61 |
0 |
|
|
64953 |
29204245 |
2 |
ON2H11C12 |
AB2C11D12 |
38.55 |
2.25 |
-8.76 |
-0.29 |
0 |
|
|
64954 |
29204247 |
1 |
SO3N4C23H32 |
AB3C4D23E32 |
-93.84 |
6.78 |
-9.18 |
-0.66 |
0 |
|
|
64955 |
29204248 |
1 |
ON3H21C23 |
AB3C21D23 |
50.12 |
5.12 |
-8.39 |
-0.47 |
0 |
|
|
64956 |
29204250 |
1 |
ON2C17H18 |
AB2C17D18 |
14.21 |
4.32 |
-9.27 |
-0.68 |
0 |
|
|
64957 |
29204251 |
1 |
FOSN2H11C15 |
ABCD2E11F15 |
-13.5 |
2.69 |
-9.23 |
-1.23 |
0 |
|
|
64958 |
29204252 |
1 |
O3N4C16H18 |
A3B4C16D18 |
-9.29 |
10.35 |
-8.95 |
-0.81 |
0 |
|
|
64959 |
29204253 |
1 |
ON4H16C17 |
AB4C16D17 |
56.99 |
5.27 |
-9.23 |
-0.84 |
0 |
|
|
64960 |
29204254 |
1 |
N3O3H17C18 |
A3B3C17D18 |
-52.44 |
2.79 |
-9.13 |
-0.72 |
0 |
|
|
64961 |
29204255 |
1 |
ClSN3O4C15H16 |
ABC3D4E15F16 |
-78.26 |
9.07 |
-9.77 |
-1.31 |
0 |
|
|
64962 |
29204259 |
1 |
OSN2H16C19 |
ABC2D16E19 |
54.72 |
3.93 |
-9.12 |
-1.14 |
0 |
|
|
64963 |
29204260 |
2 |
NOH9C10 |
ABC9D10 |
4.12 |
4.68 |
-8.63 |
-0.89 |
0 |
|
|
64964 |
29204261 |
1 |
SO3N4C16H16 |
AB3C4D16E16 |
-24.95 |
5.78 |
-9.98 |
-1.28 |
0 |
|
|
64965 |
29204263 |
1 |
FN2O2C15H15 |
AB2C2D15E15 |
-73.29 |
3.29 |
-8.96 |
-0.56 |
0 |
|
|
64966 |
29204266 |
1 |
O2N3C17H17 |
A2B3C17D17 |
-31.78 |
4.7 |
-8.98 |
-0.32 |
0 |
|
|
64967 |
29204267 |
1 |
OSF2N4H14C16 |
ABC2D4E14F16 |
-55.27 |
1.87 |
-9.17 |
-1.05 |
0 |
|
|
64968 |
29204268 |
2 |
NOC9H10 |
ABC9D10 |
-48.04 |
1.41 |
-9.44 |
-0.47 |
0 |
|
|
64969 |
29204270 |
1 |
SN4O4C17H22 |
AB4C4D17E22 |
-148.51 |
5.12 |
-9.61 |
-0.85 |
0 |
|
|
64970 |
29204271 |
1 |
SN4O4C17H22 |
AB4C4D17E22 |
-148.52 |
4.48 |
-9.47 |
-0.95 |
0 |
|
|
64971 |
29204273 |
1 |
O2N3Cl4H11C17 |
A2B3C4D11E17 |
10.9 |
2.79 |
-9.4 |
-1.1 |
0 |
|
|
64972 |
29204274 |
1 |
FO2N3Cl4H10C17 |
AB2C3D4E10F17 |
-38.64 |
1.71 |
-9.54 |
-1.06 |
0 |
|
|
64973 |
29204276 |
1 |
SCl3O3N4C19H19 |
AB3C3D4E19F19 |
-60.8 |
10.14 |
-9.34 |
-1.14 |
0 |
|
|
64974 |
29204277 |
1 |
OSN2Cl3H11C14 |
ABC2D3E11F14 |
2.76 |
4.27 |
-9.16 |
-0.91 |
0 |
|
|
64975 |
29204280 |
1 |
Cl3O3N4H15C17 |
A3B3C4D15E17 |
-9.75 |
9.43 |
-9.08 |
-1.21 |
0 |
|
|
64976 |
29204282 |
1 |
O2Cl3N3H12C17 |
A2B3C3D12E17 |
15.56 |
0.92 |
-9.58 |
-1.08 |
0 |
|
|
64977 |
29204283 |
1 |
OCl4N4H12C17 |
AB4C4D12E17 |
37.61 |
4.44 |
-9.45 |
-0.96 |
0 |
|
|
64978 |
29204284 |
1 |
ON4Cl5H13C18 |
AB4C5D13E18 |
23.97 |
3.35 |
-9.4 |
-0.92 |
0 |
|
|
64979 |
29204285 |
1 |
OCl3N4H15C18 |
AB3C4D15E18 |
30.54 |
3.42 |
-9.35 |
-0.88 |
0 |
|
|
64980 |
29204288 |
1 |
OCl3N5H16C22 |
AB3C5D16E22 |
82.06 |
5.76 |
-9.36 |
-1.0 |
0 |
|
|
64981 |
29204290 |
1 |
Cl3N3O4C15H16 |
A3B3C4D15E16 |
-96.28 |
3.28 |
-9.42 |
-0.96 |
0 |
|
|
64982 |
29204291 |
1 |
Cl3N3O4C15H16 |
A3B3C4D15E16 |
-95.38 |
3.79 |
-9.63 |
-1.19 |
0 |
|
|
64983 |
29204294 |
1 |
OCl4N4C15H16 |
AB4C4D15E16 |
-11.2 |
4.86 |
-9.36 |
-0.86 |
0 |
|
|
64984 |
29204295 |
1 |
OCl4N4H16C19 |
AB4C4D16E19 |
21.72 |
4.92 |
-9.33 |
-0.87 |
0 |
|
|
64985 |
29204298 |
1 |
OCl3N3H10C15 |
AB3C3D10E15 |
21.18 |
1.96 |
-8.99 |
-1.06 |
0 |
|
|
64986 |
29204299 |
1 |
Cl3N4O4H17C19 |
A3B4C4D17E19 |
-117.12 |
4.85 |
-9.18 |
-0.94 |
0 |
|
|
64987 |
29204300 |
1 |
Cl3N4O4H17C19 |
A3B4C4D17E19 |
-117.14 |
4.42 |
-9.16 |
-1.0 |
0 |
|
|
64988 |
29204301 |
1 |
O2Cl3N4H11C14 |
A2B3C4D11E14 |
-40.22 |
6.51 |
-9.29 |
-0.86 |
0 |
|
|
64989 |
29204302 |
1 |
Cl3O3N4C21H27 |
A3B3C4D21E27 |
-140.0 |
6.22 |
-9.02 |
-1.01 |
0 |
|
|
64990 |
29204303 |
1 |
SCl3O3N4H13C15 |
AB3C3D4E13F15 |
-92.99 |
2.65 |
-8.94 |
-1.07 |
0 |
|
|
64991 |
29204304 |
1 |
Cl3O3N4H13C15 |
A3B3C4D13E15 |
-3.77 |
9.33 |
-9.09 |
-1.23 |
0 |
|
|
64992 |
29204305 |
1 |
OCl4N4C15H16 |
AB4C4D15E16 |
-13.11 |
4.86 |
-9.41 |
-0.91 |
0 |
|
|
64993 |
29204306 |
1 |
SCl3N3O3H16C17 |
AB3C3D3E16F17 |
-89.06 |
4.03 |
-8.96 |
-0.88 |
0 |
|
|
64994 |
29204307 |
1 |
N2O3Cl4H12C16 |
A2B3C4D12E16 |
-79.19 |
4.73 |
-9.18 |
-0.96 |
0 |
|
|
64995 |
29204308 |
1 |
O2Cl3N3C14H14 |
A2B3C3D14E14 |
-28.26 |
0.62 |
-9.55 |
-1.05 |
0 |
|
|
64996 |
29204310 |
1 |
Cl3N3O3H14C17 |
A3B3C3D14E17 |
-71.5 |
2.39 |
-8.83 |
-1.05 |
0 |
|
|
64997 |
29204313 |
1 |
Cl3O3N5H16C19 |
A3B3C5D16E19 |
19.54 |
7.0 |
-9.63 |
-1.17 |
0 |
|
|
64998 |
29204314 |
3 |
ClNOH4C6 |
ABCD4E6 |
-40.37 |
6.41 |
-9.3 |
-1.04 |
0 |
|
|
64999 |
29204315 |
1 |
Cl3N3O4H10C14 |
A3B3C4D10E14 |
-42.18 |
7.85 |
-9.62 |
-1.54 |
0 |
|
|
65000 |
29204316 |
1 |
N2O2Cl3H13C15 |
A2B2C3D13E15 |
-38.24 |
4.93 |
-9.39 |
-0.9 |
0 |
|
|
65001 |
29204317 |
1 |
Cl3N3O3C17H22 |
A3B3C3D17E22 |
-146.58 |
2.72 |
-9.33 |
-1.05 |
0 |
|
|
65002 |
29204318 |
1 |
ON2Cl3C13H13 |
AB2C3D13E13 |
-19.97 |
2.96 |
-9.19 |
-0.88 |
0 |
|
|
65003 |
29204320 |
1 |
SCl3O3N4H13C15 |
AB3C3D4E13F15 |
-71.09 |
4.17 |
-9.52 |
-1.3 |
0 |
|
|
65004 |
29204321 |
1 |
OSN2Cl3H13C15 |
ABC2D3E13F15 |
-0.74 |
2.44 |
-8.76 |
-0.96 |
0 |
|
|
65005 |
29204323 |
1 |
SO2Cl3N3H16C17 |
AB2C3D3E16F17 |
-40.27 |
4.23 |
-8.93 |
-1.1 |
0 |
|
|
65006 |
29204324 |
1 |
N2Cl3O4H13C16 |
A2B3C4D13E16 |
-105.89 |
6.07 |
-9.0 |
-0.92 |
0 |
|
|
65007 |
29204325 |
1 |
FOCl3N4H14C18 |
ABC3D4E14F18 |
-16.79 |
1.78 |
-9.41 |
-0.91 |
0 |
|
|
65008 |
29204326 |
1 |
SO2Cl3N3H14C18 |
AB2C3D3E14F18 |
-6.45 |
5.28 |
-9.17 |
-0.88 |
0 |
|
|
65009 |
29204329 |
1 |
SCl3N3O3H12C14 |
AB3C3D3E12F14 |
-68.49 |
4.98 |
-9.48 |
-1.27 |
0 |
|
|
65010 |
29204330 |
1 |
Cl3N3O3H12C16 |
A3B3C3D12E16 |
-76.11 |
2.13 |
-9.1 |
-1.1 |
0 |
|
|
65011 |
29204331 |
1 |
Cl3N3O3H12C16 |
A3B3C3D12E16 |
-76.14 |
5.23 |
-9.25 |
-0.95 |
0 |
|
|
65012 |
29204332 |
1 |
N2O3Cl4H8C16 |
A2B3C4D8E16 |
-52.92 |
4.46 |
-9.8 |
-1.57 |
0 |
|
|
65013 |
29204333 |
1 |
N2O2Cl3H15C16 |
A2B2C3D15E16 |
-54.71 |
4.6 |
-8.9 |
-0.79 |
0 |
|
|
65014 |
29204334 |
1 |
OSN2Cl3H11C13 |
ABC2D3E11F13 |
-13.06 |
3.32 |
-9.17 |
-0.88 |
0 |
|
|
65015 |
29204335 |
1 |
SN3Cl4O4H13C15 |
AB3C4D4E13F15 |
-90.03 |
5.31 |
-9.43 |
-1.37 |
0 |
|
|
65016 |
29204336 |
1 |
SCl3N3O4H14C15 |
AB3C3D4E14F15 |
-81.67 |
4.11 |
-9.41 |
-1.16 |
0 |
|
|
65017 |
29204337 |
1 |
SCl3N3O3C14H18 |
AB3C3D3E14F18 |
-123.95 |
1.67 |
-9.49 |
-1.01 |
0 |
|
|
65018 |
29204339 |
1 |
SO2Cl3N3H12C16 |
AB2C3D3E12F16 |
-12.02 |
1.74 |
-9.21 |
-1.03 |
0 |
|
|
65019 |
29204340 |
1 |
SCl3O3N4H13C16 |
AB3C3D4E13F16 |
-35.62 |
5.68 |
-9.77 |
-1.44 |
0 |
|
|
65020 |
29204342 |
1 |
O2Cl3N4H13C17 |
A2B3C4D13E17 |
6.17 |
2.38 |
-9.61 |
-1.08 |
0 |
|
|
65021 |
29204343 |
3 |
ClNOC6H6 |
ABCD6E6 |
-111.06 |
4.42 |
-9.22 |
-1.0 |
0 |
|
|
65022 |
29204344 |
1 |
BrFON2Cl3H7C13 |
ABCD2E3F7G13 |
-42.6 |
2.89 |
-9.56 |
-1.2 |
0 |
|
|
65023 |
29204345 |
1 |
Cl3N3O3H16C17 |
A3B3C3D16E17 |
-75.99 |
4.44 |
-9.47 |
-1.08 |
0 |
|
|
65024 |
29204348 |
1 |
Cl3N3O3H14C16 |
A3B3C3D14E16 |
-92.52 |
2.19 |
-9.35 |
-1.0 |
0 |
|
|
65025 |
29204349 |
1 |
Cl3N3O3C14H18 |
A3B3C3D14E18 |
-145.42 |
4.32 |
-9.43 |
-0.91 |
0 |
|
|
65026 |
29204351 |
1 |
SCl3N4O4C17H19 |
AB3C4D4E17F19 |
-160.96 |
4.97 |
-9.49 |
-1.2 |
0 |
|
|
65027 |
29204352 |
1 |
SCl3N4O4C17H19 |
AB3C4D4E17F19 |
-161.3 |
3.1 |
-9.38 |
-1.03 |
0 |
|
|
65028 |
29204354 |
1 |
OCl3N4H11C16 |
AB3C4D11E16 |
53.16 |
5.25 |
-9.23 |
-0.99 |
0 |
|
|
65029 |
29204356 |
1 |
FO2Cl3N4H12C17 |
AB2C3D4E12F17 |
-26.14 |
1.58 |
-9.68 |
-1.15 |
0 |
|
|
65030 |
29204357 |
1 |
SN3O3C19H29 |
AB3C3D19E29 |
-108.97 |
7.91 |
-9.38 |
-1.23 |
0 |
|
|
65031 |
29204358 |
1 |
ClFSN2O3C20H24 |
ABCD2E3F20G24 |
-154.89 |
3.4 |
-8.71 |
-1.43 |
0 |
|
|
65032 |
29204359 |
1 |
O2N3C14H21 |
A2B3C14D21 |
-82.61 |
5.82 |
-9.03 |
-0.39 |
0 |
|
|
65033 |
29204360 |
1 |
O2N3C15H23 |
A2B3C15D23 |
-85.7 |
3.88 |
-9.28 |
-0.15 |
0 |
|
|
65034 |
29204363 |
1 |
N2O3C18H28 |
A2B3C18D28 |
-156.25 |
3.63 |
-9.05 |
-0.2 |
0 |
|
|
65035 |
29204364 |
1 |
N2O3C18H28 |
A2B3C18D28 |
-155.01 |
5.64 |
-9.05 |
-0.13 |
0 |
|
|
65036 |
29204366 |
2 |
NO2C11H12 |
AB2C11D12 |
-132.03 |
7.91 |
-9.1 |
-0.61 |
0 |
|
|
65037 |
29204367 |
1 |
N3O3C23H25 |
A3B3C23D25 |
-68.65 |
7.6 |
-9.1 |
-0.77 |
0 |
|
|
65038 |
29204370 |
2 |
NO3C10H13 |
AB3C10D13 |
-192.52 |
7.5 |
-9.19 |
-1.14 |
0 |
|
|
65039 |
29204373 |
1 |
N2S2O6C23H30 |
A2B2C6D23E30 |
-222.81 |
8.12 |
-8.68 |
-0.87 |
0 |
|
|
65040 |
29204374 |
1 |
N2S2O6C23H30 |
A2B2C6D23E30 |
-217.57 |
8.4 |
-8.75 |
-0.88 |
0 |
|
|
65041 |
29204378 |
1 |
SN3O4C25H25 |
AB3C4D25E25 |
-92.08 |
10.99 |
-8.94 |
-0.95 |
0 |
|
|
65042 |
29204380 |
1 |
BrSN2O6C20H23 |
ABC2D6E20F23 |
-181.28 |
4.35 |
-9.35 |
-1.59 |
0 |
|
|
65043 |
29204381 |
1 |
N2O6C19H20 |
A2B6C19D20 |
-141.17 |
10.62 |
-9.35 |
-1.65 |
0 |
|
|
65044 |
29204382 |
1 |
SN3O5C23H25 |
AB3C5D23E25 |
-144.3 |
10.33 |
-9.07 |
-1.49 |
0 |
|
|
65045 |
29204383 |
1 |
N3O5C25H27 |
A3B5C25D27 |
-132.95 |
4.49 |
-8.93 |
-0.63 |
0 |
|
|
65046 |
29204384 |
1 |
SN2O5C19H22 |
AB2C5D19E22 |
-168.95 |
3.15 |
-9.46 |
-1.3 |
0 |
|
|
65047 |
29204393 |
1 |
N2S2O7C22H28 |
A2B2C7D22E28 |
-267.65 |
5.56 |
-9.25 |
-1.14 |
0 |
|
|
65048 |
29204394 |
1 |
SN3O6C22H29 |
AB3C6D22E29 |
-260.88 |
1.47 |
-9.36 |
-0.94 |
0 |
|
|
65049 |
29204395 |
1 |
SN3O6C22H29 |
AB3C6D22E29 |
-261.55 |
6.5 |
-9.44 |
-0.97 |
0 |
|
|
65050 |
29204399 |
1 |
ION3H16C18 |
ABC3D16E18 |
50.89 |
6.67 |
-8.79 |
-0.73 |
0 |