Geometry & MOs

Info

ID:

231004

PubChem CID:

87572435

Reduced:

O13C55H108 (1)

Stoich.:

A13B55C108 (1)

Weight, g/mol:

976.778994

ΔHf, kcal/mol:

-782.9

Dipole, Da:

2.5

IP(EA), eV:

 -9.94(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2S)-2,3-bis[(3S,7S,11R)-3,7,11,15-tetramethylhexadecoxy]propoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCOC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

DOS

IR

Vibrations