Geometry & MOs

Info

ID:	62788
PubChem CID:	26736782
Reduced:	ClSO2N3H20C21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	417.046939
ΔH_f, kcal/mol:	7.74
Dipole, Da:	3.7
IP(EA), eV:	-8.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)OCC4=CSC=N4

DOS

IR

Vibrations