Geometry & MOs

Info

ID:

14637

PubChem CID:

416521

Reduced:

O5N8H26C33 (1)

Stoich.:

A5B8C26D33 (1)

Weight, g/mol:

614.202616

ΔHf, kcal/mol:

30.94

Dipole, Da:

3.96

IP(EA), eV:

 -8.34(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4-[4-[[2,4-diamino-3-[(3-carboxyphenyl)diazenyl]-5-methylphenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1N)N=NC2=CC=CC(=C2)C(=O)O)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