Geometry & MOs

Info

ID:

329387

PubChem CID:

126735973

Reduced:

O11C20H36 (1)

Stoich.:

A11B20C36 (1)

Weight, g/mol:

910.176878

ΔHf, kcal/mol:

-516.07

Dipole, Da:

5.79

IP(EA), eV:

 -10.1(0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[(2S,3S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxydodecane-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosol

Drug info:

PubChemData

Smile

CC1CC(O[C@H]2C(O1)C([C@@H](C(O2)CO)O[C@@H]3C(C([C@@H](C(O3)CO)O)O)O)O)CC(C)C

DOS

IR

Vibrations