Geometry & MOs

Info

ID:

16467

PubChem CID:

470174

Reduced:

O11C41H56 (1)

Stoich.:

A11B41C56 (1)

Weight, g/mol:

724.382263

ΔHf, kcal/mol:

-465.16

Dipole, Da:

4.38

IP(EA), eV:

 -9.55(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-[2-[(2S,3S,4R,5R)-5-octoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethoxy]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H](O1)C(CO[C@H]2[C@@H]([C@H]([C@@H](O2)[C@@H](CO)O)O)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations