Geometry & MOs

Info

ID:	73063
PubChem CID:	48416919
Reduced:	SO3N5C15H17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	347.105211
ΔH_f, kcal/mol:	-32.25
Dipole, Da:	4.3
IP(EA), eV:	-9.56(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations