Geometry & MOs

Info

ID:	268423
PubChem CID:	103599323
Reduced:	SN3O3C23H23 (1)
Stoich.:	AB3C3D23E23 (1)
Weight, g/mol:	443.10704
ΔH_f, kcal/mol:	-1.2
Dipole, Da:	2.54
IP(EA), eV:	-8.53(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C2=CN=CC=C2)NC(=O)C=CC3=CC(=C(C=C3)OCC=C)OC

DOS

IR

Vibrations