Geometry & MOs

Info

ID:	280528
PubChem CID:	103849758
Reduced:	FO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	302.098808
ΔH_f, kcal/mol:	-171.34
Dipole, Da:	3.55
IP(EA), eV:	-9.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-tert-butylsulfonylethoxy)-3-fluorophenyl]ethanone

Drug info:

PubChemData

Smile

CC(C(C)OC1=CC(=C(C=C1)C(=O)C)F)O

DOS

IR

Vibrations