Geometry & MOs

Info

ID:	197306
PubChem CID:	78951430
Reduced:	FNSO3H12C14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	214.082764
ΔH_f, kcal/mol:	-54.8
Dipole, Da:	2.75
IP(EA), eV:	-9.45(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-fluoro-6-propan-2-ylsulfanylphenyl)ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)F)SC2=CC=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations