Geometry & MOs

Info

ID:	195785
PubChem CID:	78732377
Reduced:	FNSO5C20H22 (1)
Stoich.:	ABCD5E20F22 (1)
Weight, g/mol:	341.101171
ΔH_f, kcal/mol:	-229.41
Dipole, Da:	6.1
IP(EA), eV:	-9.2(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-nitrofuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2CCS(=O)(=O)C2)C)C(=O)COC(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations