Geometry & MOs

Info

ID:	216988
PubChem CID:	85087079
Reduced:	SF3O7C9H13 (1)
Stoich.:	AB3C7D9E13 (1)
Weight, g/mol:	322.102808
ΔH_f, kcal/mol:	-453.43
Dipole, Da:	2.8
IP(EA), eV:	-10.66(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-oxo-6-(trifluoromethyl)spiro[2,4-dioxabicyclo[4.2.0]octane-3,1'-cyclohexane]-8-yl] acetate

Drug info:

PubChemData

Smile

CC1(OC(C(O1)C(=O)OC)COS(=O)(=O)C(F)(F)F)C

DOS

IR

Vibrations