Geometry & MOs
Info
ID: |
80997 |
PubChem CID: |
49854237 |
Reduced: |
SO3N5C35H40 (1) |
Stoich.: |
AB3C5D35E40 (1) |
Weight, g/mol: |
595.286863 |
ΔHf, kcal/mol: |
44.13 |
Dipole, Da: |
11.0 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.672051 |
Charge, e: |
0 |
Chem-info
IUPAC name:
5-[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]pentan-1-olate