Geometry & MOs

Info

ID:

182957

PubChem CID:

76963290

Reduced:

NaN2S2O11C13H21 (2)

Stoich.:

AB2C2D11E13F21 (2)

Weight, g/mol:

744.575149

ΔHf, kcal/mol:

-1069.72

Dipole, Da:

11.19

IP(EA), eV:

 -9.01(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] decanoate;[(2R)-1-hydroxy-3-octanoyloxypropan-2-yl] decanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N[C@@H]([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O)S(=O)(=O)[O-])S(=O)(=O)NCO.C1=CC(=CC=C1N[C@H]([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O)S(=O)(=O)[O-])S(=O)(=O)NCO.[Na+].[Na+]

DOS

IR

Vibrations