Geometry & MOs
Info
ID: |
445283 |
PubChem CID: |
135265852 |
Reduced: |
ON5C11H11 (1) |
Stoich.: |
AB5C11D11 (1) |
Weight, g/mol: |
882.95965 |
ΔHf, kcal/mol: |
35.13 |
Dipole, Da: |
2.13 |
IP(EA), eV: |
-9.55(-1.32) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2Z)-2-[2-[5-(5-bromothiophen-2-yl)thiophen-2-yl]-5-[6-[5-(5-bromothiophen-2-yl)thiophen-2-yl]-1,4-diethyl-1,2,4,9a-tetrahydro-3-benzothiepin-9-yl]-6-iminocyclohexa-2,4-dien-1-ylidene]butane-1-thiol