Geometry & MOs

Info

ID:	318814
PubChem CID:	126653431
Reduced:	NF2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	283.102
ΔH_f, kcal/mol:	-132.85
Dipole, Da:	6.28
IP(EA), eV:	-9.52(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-4-(2,6-difluoro-4-methylphenyl)-3-methyl-2-oxopyrrolidin-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1[C@@H](CNC1=O)C2=C(C=C(C=C2F)OCC3=CC=CC=C3)F

DOS

IR

Vibrations