Geometry & MOs

Info

ID:	377196
PubChem CID:	134223236
Reduced:	SF2O8C15H22 (1)
Stoich.:	AB2C8D15E22 (1)
Weight, g/mol:	356.110516
ΔH_f, kcal/mol:	-459.67
Dipole, Da:	4.37
IP(EA), eV:	-10.48(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-difluoro-2-[3-(2-hydroxyethyl)bicyclo[3.3.1]nonane-1-carbonyl]oxyethanesulfonic acid

Drug info:

PubChemData

Smile

COCOC(C12CC3CC(C1)C(C(C3)C2)OC(=O)C(F)(F)S(=O)(=O)O)O

DOS

IR

Vibrations