Geometry & MOs

Info

ID:	217182
PubChem CID:	85087387
Reduced:	O2F3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	340.09806
ΔH_f, kcal/mol:	-267.76
Dipole, Da:	3.36
IP(EA), eV:	-9.06(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)ethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)C(F)(F)F

DOS

IR

Vibrations