Geometry & MOs

Info

ID:	402770
PubChem CID:	135057193
Reduced:	FKO3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	224.084872
ΔH_f, kcal/mol:	-179.04
Dipole, Da:	7.68
IP(EA), eV:	-9.32(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R,3R)-3-[(3-fluorophenyl)methyl]oxiran-2-yl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C[C@@H]2[C@H](O2)CCC(=O)[O-].[K+]

DOS

IR

Vibrations