Geometry & MOs

Info

ID:

10598

PubChem CID:

105350

Reduced:

Na2N6O7H22C29 (1)

Stoich.:

A2B6C7D22E29 (1)

Weight, g/mol:

612.134536

ΔHf, kcal/mol:

-117.22

Dipole, Da:

32.0

IP(EA), eV:

 -7.55(-2.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;3-[[4-[[4-[(5-carboxylato-2-hydroxy-3-methylphenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]-4-hydroxy-5-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)N=NC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)N=NC4=C(C(=CC(=C4)C(=O)[O-])C)O)C(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations