Geometry & MOs

Info

ID:	61509
PubChem CID:	26710068
Reduced:	SN3O5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	350.163043
ΔH_f, kcal/mol:	-176.31
Dipole, Da:	9.42
IP(EA), eV:	-9.63(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)C(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations