Geometry & MOs

Info

ID:	73100
PubChem CID:	48416993
Reduced:	SO3N5H17C19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	411.100125
ΔH_f, kcal/mol:	1.14
Dipole, Da:	2.34
IP(EA), eV:	-8.95(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N)C

DOS

IR

Vibrations