Geometry & MOs

Info

ID:

398350

PubChem CID:

135032919

Reduced:

O7C17H22 (1)

Stoich.:

A7B17C22 (1)

Weight, g/mol:

789.318283

ΔHf, kcal/mol:

-275.44

Dipole, Da:

2.4

IP(EA), eV:

 -9.71(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4S,6S)-6-[(2S,3S,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-methyl-4-[(4-methylphenyl)sulfonylamino]oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1[C@H]([C@H]2C(COC(O2)C3=CC=CC=C3)O[C@@H]1OC)OC

DOS

IR

Vibrations