Geometry & MOs

Info

ID:	127840
PubChem CID:	51019230
Reduced:	O6C11H14 (1)
Stoich.:	A6B11C14 (1)
Weight, g/mol:	536.241018
ΔH_f, kcal/mol:	-171.73
Dipole, Da:	5.84
IP(EA), eV:	-9.6(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3S,4S,5R,7S)-5-methyl-1,2,7-tris(phenylmethoxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

Drug info:

PubChemData

Smile

C[C@]12[C@H]3[C@H](C[C@H]([C@H]3C(=O)OC)C=O)[C@@H](O1)OO2

DOS

IR

Vibrations