Geometry & MOs

Info

ID:

398461

PubChem CID:

135033379

Reduced:

O16C37H46 (1)

Stoich.:

A16B37C46 (1)

Weight, g/mol:

1042.377571

ΔHf, kcal/mol:

-658.28

Dipole, Da:

5.52

IP(EA), eV:

 -9.13(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4S,6S)-3,4,5-tribenzoyloxy-6-[(3S,4S,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H]([C@@H](C([C@H](O1)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O[C@H]4C([C@H]([C@H](C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations