Geometry & MOs

Info

ID:	73061
PubChem CID:	48416915
Reduced:	SO4N5C15H17 (1)
Stoich.:	AB4C5D15E17 (1)
Weight, g/mol:	333.089561
ΔH_f, kcal/mol:	-66.96
Dipole, Da:	10.35
IP(EA), eV:	-9.33(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-amino-4-cyanopyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations