Geometry & MOs

Info

ID:	206562
PubChem CID:	80267926
Reduced:	FNSO3C13H14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	267.090686
ΔH_f, kcal/mol:	-161.54
Dipole, Da:	7.77
IP(EA), eV:	-9.25(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-1-(2-fluoro-4-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1N(C(CS1)C(=O)O)C(=O)C2=C(C=C(C=C2)C)F

DOS

IR

Vibrations