Geometry & MOs
Info
ID: |
322164 |
PubChem CID: |
126669037 |
Reduced: |
IOC3N3H4 (1) |
Stoich.: |
ABC3D3E4 (1) |
Weight, g/mol: |
1592.669317 |
ΔHf, kcal/mol: |
26.82 |
Dipole, Da: |
4.72 |
IP(EA), eV: |
-9.98(-3.23) |
Spin(Sz, S2): |
None, None |
Charge, e: |
1 |
Chem-info
IUPAC name:
(2R)-2-[[(1R)-1-carboxy-4-[2-[3-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-[4-[(6E)-2-[(E)-2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]-6-[(2E)-2-[3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]ethylidene]cyclohexen-1-yl]oxyphenyl]ethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropoxy]ethylamino]-4-oxobutyl]carbamoylamino]pentanedioic acid