Geometry & MOs

Info

ID:	18930
PubChem CID:	551137
Reduced:	ClOSN4C15H17 (1)
Stoich.:	ABCD4E15F17 (1)
Weight, g/mol:	336.08116
ΔH_f, kcal/mol:	17.96
Dipole, Da:	4.6
IP(EA), eV:	-8.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NC2=NC=CS2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations