Geometry & MOs

Info

ID:	293057
PubChem CID:	117373169
Reduced:	FSO4C10H13 (1)
Stoich.:	ABC4D10E13 (1)
Weight, g/mol:	248.051858
ΔH_f, kcal/mol:	-213.86
Dipole, Da:	5.94
IP(EA), eV:	-9.39(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-(2-hydroxypropan-2-yl)-3-methylsulfonylphenol

Drug info:

PubChemData

Smile

CC(CC1=C(C(=C(C=C1)S(=O)(=O)C)F)O)O

DOS

IR

Vibrations