Geometry & MOs

Info

ID:	268224
PubChem CID:	103598456
Reduced:	OSN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	292.043712
ΔH_f, kcal/mol:	21.29
Dipole, Da:	3.81
IP(EA), eV:	-9.52(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CNC(=O)C=CC2=CC=CC=C2

DOS

IR

Vibrations