Geometry & MOs

Info

ID:	20920
PubChem CID:	586307
Reduced:	FSO2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	290.077679
ΔH_f, kcal/mol:	-90.86
Dipole, Da:	3.58
IP(EA), eV:	-8.64(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-8-[(4-methylphenyl)sulfanylmethyl]-4H-1,3-benzodioxine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations