Geometry & MOs
Info
ID: |
320876 |
PubChem CID: |
126664051 |
Reduced: |
INO2C12H22 (1) |
Stoich.: |
ABC2D12E22 (1) |
Weight, g/mol: |
963.217229 |
ΔHf, kcal/mol: |
-114.24 |
Dipole, Da: |
3.13 |
IP(EA), eV: |
-8.82(-1.64) |
Spin(Sz, S2): |
None, None |
Charge, e: |
1 |
Chem-info
IUPAC name:
(2E)-2-[(2Z)-2-[6-[(E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]-5-(4-methylphenoxy)-1,3-dioxin-4-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfobutyl)indole-5-sulfonic acid