Geometry & MOs

Info

ID:	26917
PubChem CID:	804383
Reduced:	ClFN2O2H14C17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	261.100108
ΔH_f, kcal/mol:	-90.02
Dipole, Da:	4.1
IP(EA), eV:	-9.09(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

C1[C@H](CN(C1=O)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations