Geometry & MOs

Info

ID:	139917
PubChem CID:	52617596
Reduced:	SO2N5H21C24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	386.150954
ΔH_f, kcal/mol:	27.92
Dipole, Da:	11.16
IP(EA), eV:	-8.54(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C2=CN=CC=C2)CC(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

DOS

IR

Vibrations