Geometry & MOs
Info
ID: |
427511 |
PubChem CID: |
135159475 |
Reduced: |
NS2H7C11 (1) |
Stoich.: |
AB2C7D11 (1) |
Weight, g/mol: |
719.361943 |
ΔHf, kcal/mol: |
63.13 |
Dipole, Da: |
1.88 |
IP(EA), eV: |
-8.6(-1.12) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(1Z,3Z,5Z,9Z,11Z)-2-[(5E)-8-[2-[(1E,3E)-5-anilinopenta-1,3-dienyl]phenyl]-5-cyclohexa-1,3-dien-1-yl-2,3,4,7-tetrahydro-1-benzothiecin-8-yl]trideca-1,3,5,9,11-pentaene-1-thiol