Geometry & MOs

Info

ID:	52252
PubChem CID:	12015060
Reduced:	SF3O3C11H19 (1)
Stoich.:	AB3C3D11E19 (1)
Weight, g/mol:	314.149364
ΔH_f, kcal/mol:	-307.54
Dipole, Da:	6.2
IP(EA), eV:	-10.29(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1,1,1-trifluorodec-2-en-4-yl] benzoate

Drug info:

PubChemData

Smile

CCCCCC/C=C/C(C(F)(F)F)OS(=O)(=O)C

DOS

IR

Vibrations