Geometry & MOs
Info
ID: |
80999 |
PubChem CID: |
49854239 |
Reduced: |
SN3O3C36H42 (1) |
Stoich.: |
AB3C3D36E42 (1) |
Weight, g/mol: |
747.345441 |
ΔHf, kcal/mol: |
16.73 |
Dipole, Da: |
8.11 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.450254 |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-6-[2-[(1E,3E,5E)-5-(1-ethyl-3,3-dimethyl-5-nitroindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethyl-5-thiophen-2-ylindol-1-ium-1-yl]hexanimidate