Geometry & MOs

Info

ID:

397968

PubChem CID:

135031187

Reduced:

O15H58C62 (1)

Stoich.:

A15B58C62 (1)

Weight, g/mol:

922.356442

ΔHf, kcal/mol:

-441.32

Dipole, Da:

4.44

IP(EA), eV:

 -9.2(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,5R)-4,5-dibenzoyloxy-6-[(3R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-methyloxan-3-yl] benzoate

Drug info:

PubChemData

Smile

CO[C@@H]1C(C([C@@H](C(O1)COCC2=CC=CC=C2)O[C@H]3C(C([C@@H](C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

DOS

IR

Vibrations