Geometry & MOs

Info

ID:	407459
PubChem CID:	135080175
Reduced:	FNO4C9H12 (1)
Stoich.:	ABC4D9E12 (1)
Weight, g/mol:	213.080121
ΔH_f, kcal/mol:	-175.33
Dipole, Da:	1.59
IP(EA), eV:	-10.32(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyridin-4-ylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]([C@H](C1=NOC(=C1)C)O)F

DOS

IR

Vibrations