Geometry & MOs

Info

ID:	22598
PubChem CID:	597897
Reduced:	ClOSN2C16H17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	320.075012
ΔH_f, kcal/mol:	0.04
Dipole, Da:	5.01
IP(EA), eV:	-9.11(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chlorophenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC(=O)C(=CC3=CC=CC=C3Cl)S2

DOS

IR

Vibrations