Geometry & MOs

Info

ID:	272261
PubChem CID:	103737130
Reduced:	ClN4O4H9C11 (1)
Stoich.:	AB4C4D9E11 (1)
Weight, g/mol:	347.9771
ΔH_f, kcal/mol:	-18.27
Dipole, Da:	3.84
IP(EA), eV:	-9.69(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-fluoro-2-iodophenyl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(O1)CNC(=O)C2=C(C(=NC=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations