Geometry & MOs

Info

ID:	407664
PubChem CID:	135080415
Reduced:	ClOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	178.100523
ΔH_f, kcal/mol:	-91.75
Dipole, Da:	2.66
IP(EA), eV:	-9.76(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-fluoro-3-hydroxy-2-methylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO[C@@H]([C@@H](CO)Cl)Cl

DOS

IR

Vibrations