Geometry & MOs

Info

ID:

327963

PubChem CID:

126691538

Reduced:

O2N7C21H25 (2)

Stoich.:

A2B7C21D25 (2)

Weight, g/mol:

645.254243

ΔHf, kcal/mol:

10.45

Dipole, Da:

2.49

IP(EA), eV:

 -8.56(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2Z)-2-[(2E,4E)-5-[2-tert-butyl-N-(4-sulfobutyl)anilino]penta-2,4-dienylidene]-3,3-dimethyl-5-sulfamoylindol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NCCC5=NC6=C(N=C(N=C6N5C(C)C)N7CCOCC7)C8=CN=C(N=C8)N)N9CCOC[C@@H]9C

DOS

IR

Vibrations