Geometry & MOs

Info

ID:	197311
PubChem CID:	78951485
Reduced:	FSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	258.072594
ΔH_f, kcal/mol:	-169.44
Dipole, Da:	1.1
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]sulfanylacetate

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC=C1SCCC(=O)OC)F)O

DOS

IR

Vibrations