Geometry & MOs

Info

ID:	68287
PubChem CID:	46508119
Reduced:	SN3O4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	433.146013
ΔH_f, kcal/mol:	-97.15
Dipole, Da:	7.25
IP(EA), eV:	-8.71(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)CSC2=NC=C(N2CC3CCCO3)C4=CC=CC=C4)OC

DOS

IR

Vibrations