Geometry & MOs

Info

ID:	32017
PubChem CID:	4252616
Reduced:	SO3N4C27H36 (1)
Stoich.:	AB3C4D27E36 (1)
Weight, g/mol:	368.075012
ΔH_f, kcal/mol:	-113.5
Dipole, Da:	2.27
IP(EA), eV:	-8.81(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC(=C2C)C)CNC(=O)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations