Geometry & MOs

Info

ID:	73170
PubChem CID:	48417142
Reduced:	SO3N5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	331.07391
ΔH_f, kcal/mol:	-33.23
Dipole, Da:	4.85
IP(EA), eV:	-9.45(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-cyclopropylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations