Geometry & MOs

Info

ID:	7437
PubChem CID:	72672
Reduced:	ClNaSN4O5H12C16 (1)
Stoich.:	ABCD4E5F12G16 (1)
Weight, g/mol:	430.011463
ΔH_f, kcal/mol:	-181.73
Dipole, Da:	5.06
IP(EA), eV:	-8.59(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;5-chloro-2-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonate

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1N=NC2=C(C(=CC(=C2)Cl)S(=O)(=O)[O-])O)C3=CC=CC=C3.[Na+]

DOS

IR

Vibrations