Geometry & MOs

Info

ID:	197312
PubChem CID:	78951486
Reduced:	FSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	216.062029
ΔH_f, kcal/mol:	-172.05
Dipole, Da:	4.16
IP(EA), eV:	-8.82(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=C(C=C(C=C1)[C@H](C)O)F

DOS

IR

Vibrations