Geometry & MOs

Info

ID:

47578

PubChem CID:

10534489

Reduced:

O8C41H44 (2)

Stoich.:

A8B41C44 (2)

Weight, g/mol:

1329.550844

ΔHf, kcal/mol:

-306.71

Dipole, Da:

6.16

IP(EA), eV:

 -7.9(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-(1,3-dioxoisoindol-2-yl)-6-(6-methoxy-6-oxohexoxy)-2-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate

Drug info:

PubChemData

Smile

CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCC4=CC=CC=C4)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)O)OCC1=CC=CC=C1)OCC1=CC=CC=C1

DOS

IR

Vibrations