Geometry & MOs

Info

ID:	152240
PubChem CID:	56311131
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	422.177647
ΔH_f, kcal/mol:	-73.72
Dipole, Da:	2.48
IP(EA), eV:	-9.17(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

DOS

IR

Vibrations