Geometry & MOs

Info

ID:	7435
PubChem CID:	72665
Reduced:	SN4O5H16C20 (1)
Stoich.:	AB4C5D16E20 (1)
Weight, g/mol:	424.084141
ΔH_f, kcal/mol:	-54.77
Dipole, Da:	4.94
IP(EA), eV:	-8.97(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)O)O)C4=CC=CC=C4

DOS

IR

Vibrations