Geometry & MOs

Info

ID:	359019
PubChem CID:	127297263
Reduced:	ON2C5H6 (3)
Stoich.:	AB2C5D6 (3)
Weight, g/mol:	390.136176
ΔH_f, kcal/mol:	-49.64
Dipole, Da:	3.62
IP(EA), eV:	-9.34(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-acetylpiperazin-1-yl)sulfonyl-N-[cyano(cyclopropyl)methyl]benzamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC(C#N)C3CC3

DOS

IR

Vibrations