Geometry & MOs

Info

ID:	73064
PubChem CID:	48416922
Reduced:	SO3N5C15H17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	333.089561
ΔH_f, kcal/mol:	-27.54
Dipole, Da:	3.17
IP(EA), eV:	-9.56(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-ethyl-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations