Geometry & MOs

Info

ID:	27291
PubChem CID:	820334
Reduced:	NOSH19C20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	310.131742
ΔH_f, kcal/mol:	36.11
Dipole, Da:	5.76
IP(EA), eV:	-8.67(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(=CCSC1=C(C2=CC=CC=C2N1C3=CC=CC=C3)C=O)C

DOS

IR

Vibrations