Geometry & MOs

Info

ID:	205139
PubChem CID:	80059702
Reduced:	FSO3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	292.056944
ΔH_f, kcal/mol:	-100.15
Dipole, Da:	6.45
IP(EA), eV:	-8.45(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)CS(=O)C2=CC=CC(=C2)F

DOS

IR

Vibrations