Geometry & MOs

Info

ID:	199135
PubChem CID:	79203243
Reduced:	S2N3O3C12H17 (1)
Stoich.:	A2B3C3D12E17 (1)
Weight, g/mol:	304.099397
ΔH_f, kcal/mol:	-102.71
Dipole, Da:	3.36
IP(EA), eV:	-8.9(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyanomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)N)NS(=O)(=O)C1=CC=C(C=C1)CC(=S)N

DOS

IR

Vibrations