Geometry & MOs

Info

ID:	73062
PubChem CID:	48416917
Reduced:	SO3N5C14H15 (1)
Stoich.:	AB3C5D14E15 (1)
Weight, g/mol:	347.105211
ΔH_f, kcal/mol:	-21.86
Dipole, Da:	4.03
IP(EA), eV:	-9.55(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-amino-4-cyanopyrazole-1-carbonyl)-N-tert-butylbenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations