Geometry & MOs

Info

ID:	175701
PubChem CID:	75938865
Reduced:	SN2O4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	422.166414
ΔH_f, kcal/mol:	-143.57
Dipole, Da:	5.34
IP(EA), eV:	-8.99(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-ethoxyphenyl)ethyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NC(C)C2=CC(=CC=C2)OCC

DOS

IR

Vibrations