Geometry & MOs

Info

ID:	437795
PubChem CID:	135227080
Reduced:	SF2N2O4H20C24 (1)
Stoich.:	AB2C2D4E20F24 (1)
Weight, g/mol:	291.95689
ΔH_f, kcal/mol:	-165.63
Dipole, Da:	4.12
IP(EA), eV:	-8.35(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-4-fluorophenyl)sulfanylmethyl]-1,3-dioxolane

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)SCC4OCCO4)OC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations