Geometry & MOs

Info

ID:	268424
PubChem CID:	103599328
Reduced:	ClSN3O3C22H22 (1)
Stoich.:	ABC3D3E22F22 (1)
Weight, g/mol:	418.146347
ΔH_f, kcal/mol:	-32.08
Dipole, Da:	2.8
IP(EA), eV:	-8.58(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)C=CC(=O)NC(C)C2=NC(=CS2)C3=CN=CC=C3)OC

DOS

IR

Vibrations