Geometry & MOs

Info

ID:	11082
PubChem CID:	110808
Reduced:	NaSN4O5H15C17 (1)
Stoich.:	ABC4D5E15F17 (1)
Weight, g/mol:	410.066085
ΔH_f, kcal/mol:	-123.17
Dipole, Da:	5.08
IP(EA), eV:	-8.71(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)S(=O)(=O)[O-])O)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C.[Na+]

DOS

IR

Vibrations