Geometry & MOs

Info

ID:	197310
PubChem CID:	78951436
Reduced:	BrOSH13C14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	258.072594
ΔH_f, kcal/mol:	-1.99
Dipole, Da:	4.89
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)SC2=CC(=CC=C2)Br)O

DOS

IR

Vibrations