Geometry & MOs

Info

ID:	50543
PubChem CID:	12013090
Reduced:	PSO3C13H21 (1)
Stoich.:	ABC3D13E21 (1)
Weight, g/mol:	262.077024
ΔH_f, kcal/mol:	-204.66
Dipole, Da:	4.03
IP(EA), eV:	-9.33(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,5E)-5-[diethoxyphosphoryl(fluoro)methylidene]-7-oxabicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)SCCCC1=CC=CC=C1

DOS

IR

Vibrations