Geometry & MOs

Info

ID:

15390

PubChem CID:

440240

Reduced:

O11C12H22 (1)

Stoich.:

A11B12C22 (1)

Weight, g/mol:

342.116212

ΔHf, kcal/mol:

-489.83

Dipole, Da:

5.15

IP(EA), eV:

 -10.02(0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol

Drug info:

PubChemData

Smile

C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O

DOS

IR

Vibrations