Geometry & MOs

Info

ID:	359020
PubChem CID:	127297264
Reduced:	SN4O4C18H22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	362.104876
ΔH_f, kcal/mol:	-94.54
Dipole, Da:	6.72
IP(EA), eV:	-9.34(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano(cyclopropyl)methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(C#N)C3CC3

DOS

IR

Vibrations