Geometry & MOs
Info
ID: |
388985 |
PubChem CID: |
134990809 |
Reduced: |
ClN2S2C6H7 (1) |
Stoich.: |
AB2C2D6E7 (1) |
Weight, g/mol: |
934.21797 |
ΔHf, kcal/mol: |
40.12 |
Dipole, Da: |
2.99 |
IP(EA), eV: |
-8.59(-0.86) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2Z)-2-[(1S,9Z,11S,13S,17S,25Z,27S,33S,35S,36S,38Z)-30-but-3-enyl-38-(2-hydroxyethylidene)-14-prop-2-enyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanol;diiodide