Geometry & MOs

Info

ID:	280525
PubChem CID:	103849752
Reduced:	FSO4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	302.098808
ΔH_f, kcal/mol:	-212.32
Dipole, Da:	5.74
IP(EA), eV:	-9.73(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations