Geometry & MOs

Info

ID:	21742
PubChem CID:	589732
Reduced:	ClOSN3C21H22 (1)
Stoich.:	ABCD3E21F22 (1)
Weight, g/mol:	399.117211
ΔH_f, kcal/mol:	12.87
Dipole, Da:	6.77
IP(EA), eV:	-8.62(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chlorophenyl)methyl]-2-[4-(4-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=O)C(S3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations