Geometry & MOs

Info

ID:

224121

PubChem CID:

85338442

Reduced:

N3O8C36H49 (1)

Stoich.:

A3B8C36D49 (1)

Weight, g/mol:

658.085871

ΔHf, kcal/mol:

-375.23

Dipole, Da:

8.54

IP(EA), eV:

 -9.37(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

disodium;4-[[4-[4-[2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]phenyl]diazenyl]-1-(4-sulfophenyl)pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CC(CC)C(=O)NC3CC(CC(C3)C(=O)O)C(=O)O)O

DOS

IR

Vibrations