Geometry & MOs

Info

ID:

47577

PubChem CID:

10534488

Reduced:

SiO20C75H80 (1)

Stoich.:

AB20C75D80 (1)

Weight, g/mol:

1328.607237

ΔHf, kcal/mol:

-651.46

Dipole, Da:

0.93

IP(EA), eV:

 -9.28(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2OC(=O)C3=CC=CC=C3)OCC[Si](C)(C)C)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)COCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC=C)O

DOS

IR

Vibrations