Geometry & MOs

Info

ID:	6157
PubChem CID:	67279
Reduced:	NNaO2H8C13 (2)
Stoich.:	ABC2D8E13 (2)
Weight, g/mol:	466.090546
ΔH_f, kcal/mol:	-56.95
Dipole, Da:	95.78
IP(EA), eV:	-6.32(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;4-[4-[[4-(4-carboxylatophenyl)phenyl]diazenyl]phenyl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations