Geometry & MOs

Info

ID:

14611

PubChem CID:

416046

Reduced:

SO6N8H28C33 (1)

Stoich.:

AB6C8D28E33 (1)

Weight, g/mol:

664.185252

ΔHf, kcal/mol:

-19.3

Dipole, Da:

7.71

IP(EA), eV:

 -8.45(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4-[4-[[2,4-diamino-5-methyl-3-[(2-methyl-4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1N)N=NC2=C(C=C(C=C2)S(=O)(=O)O)C)N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=CC(=C(C=C5)O)C(=O)O

DOS

IR

Vibrations