Geometry & MOs

Info

ID:	8730
PubChem CID:	80824
Reduced:	SNa2N4O6H14C20 (1)
Stoich.:	AB2C4D6E14F20 (1)
Weight, g/mol:	484.042944
ΔH_f, kcal/mol:	-154.54
Dipole, Da:	59.17
IP(EA), eV:	-7.79(-2.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;2-hydroxy-3-methyl-5-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations