Geometry & MOs

Info

ID:	156569
PubChem CID:	56371190
Reduced:	ClSN3O4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	436.182064
ΔH_f, kcal/mol:	-132.0
Dipole, Da:	8.42
IP(EA), eV:	-8.72(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=CC=C(C=C2)N3CCC(CC3)C(=O)N

DOS

IR

Vibrations