Geometry & MOs

Info

ID:

394277

PubChem CID:

135022671

Reduced:

O2H14C17 (1)

Stoich.:

A2B14C17 (1)

Weight, g/mol:

1074.476557

ΔHf, kcal/mol:

-1.53

Dipole, Da:

3.4

IP(EA), eV:

 -8.98(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CC[C@@]1(C=COC1=O)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations