Geometry & MOs

Info

ID:	280527
PubChem CID:	103849755
Reduced:	FSO4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	226.100523
ΔH_f, kcal/mol:	-195.21
Dipole, Da:	5.96
IP(EA), eV:	-9.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-fluoro-4-(3-hydroxybutan-2-yloxy)phenyl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations