Geometry & MOs

Info

ID:

381500

PubChem CID:

134972257

Reduced:

O18C27H38 (1)

Stoich.:

A18B27C38 (1)

Weight, g/mol:

504.251189

ΔHf, kcal/mol:

-804.42

Dipole, Da:

3.26

IP(EA), eV:

 -10.19(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S)-1-hydroxy-1-[(3R,4R,5S,6R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propan-2-one

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@@H](C(C([C@@H](O1)OCC([C@H]2C(C([C@@H](O2)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations