Geometry & MOs

Info

ID:	297862
PubChem CID:	117634663
Reduced:	SO12C13H20 (1)
Stoich.:	AB12C13D20 (1)
Weight, g/mol:	246.110338
ΔH_f, kcal/mol:	-498.95
Dipole, Da:	6.41
IP(EA), eV:	-10.44(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclopentane]-6,7,8-triol

Drug info:

PubChemData

Smile

C[C@H]1C([C@@H](C(OC1O)CO)O[C@H]2C[C@H](C=C(O2)C(=O)O)O)OS(=O)(=O)O

DOS

IR

Vibrations