Geometry & MOs

Info

ID:

59171

PubChem CID:

24775679

Reduced:

NO6H31C34 (1)

Stoich.:

AB6C31D34 (1)

Weight, g/mol:

905.350823

ΔHf, kcal/mol:

-83.74

Dipole, Da:

7.97

IP(EA), eV:

 -8.96(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;4-[(2E)-2-[(2E)-2-[2-(4-aminophenyl)-3-[(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1=C2C3C4=CC=CC=C4C(C2=C(C=C1)OCOC)(C5=CC=CC=C35)CC6=CC=C(C=C6)[N+](=O)[O-]

DOS

IR

Vibrations