Geometry & MOs

Info

ID:	200213
PubChem CID:	79363996
Reduced:	ClFNO3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	249.067094
ΔH_f, kcal/mol:	-165.76
Dipole, Da:	4.51
IP(EA), eV:	-9.79(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(2-methylsulfonylacetyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(CCN1C(=O)C2=C(C=CC=C2Cl)F)C(=O)O

DOS

IR

Vibrations