Geometry & MOs

Info

ID:	389816
PubChem CID:	134995355
Reduced:	FH3C6 (1)
Stoich.:	AB3C6 (1)
Weight, g/mol:	201.05854
ΔH_f, kcal/mol:	81.46
Dipole, Da:	1.25
IP(EA), eV:	-10.14(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1R,2S,4R,6R)-6-methylsulfinylbicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1=[C]C=C(C=[C]1)F

DOS

IR

Vibrations