Geometry & MOs

Info

ID:

329382

PubChem CID:

126735860

Reduced:

O11C24H46 (1)

Stoich.:

A11B24C46 (1)

Weight, g/mol:

988.545424

ΔHf, kcal/mol:

-546.14

Dipole, Da:

5.37

IP(EA), eV:

 -10.34(0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4S,5S)-2-[(3S,4R,6R)-6-[5-cyclohexyl-2-(3-cyclohexylpropyl)-2-[[(1R,2S)-2,3-dihydroxy-1-[(3S)-1-hydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-2-yl]oxypropoxy]methyl]pentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCO[C@H]1C(C([C@@H](C(O1)CO)O[C@@H]2C(C([C@@H](C(O2)CO)O)O)O)O)O

DOS

IR

Vibrations