Geometry & MOs

Info

ID:	73099
PubChem CID:	48416992
Reduced:	ClSO3N5H12C17 (1)
Stoich.:	ABC3D5E12F17 (1)
Weight, g/mol:	395.105211
ΔH_f, kcal/mol:	8.06
Dipole, Da:	1.59
IP(EA), eV:	-9.02(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)N2C(=C(C=N2)C#N)N)S(=O)(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations