Geometry & MOs

Info

ID:

15652

PubChem CID:

446777

Reduced:

P2O17C51H92 (1)

Stoich.:

A2B17C51D92 (1)

Weight, g/mol:

1038.580976

ΔHf, kcal/mol:

-974.38

Dipole, Da:

8.14

IP(EA), eV:

 -9.37(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-3-[[(2R)-3-[[(2S)-2-hexanoyloxy-2-[(2S,3R)-3-hydroxy-3-nonyloxiran-2-yl]ethoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-undec-9-enoyloxypropyl] pentadeca-9,12-dienoate

Drug info:

PubChemData

Smile

CCCCCCCCC[C@@]1([C@@H](O1)[C@H](COP(=O)(O)OC[C@@H](COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCC=CCC=CCC)OC(=O)CCCCCCCC=CC)O)OC(=O)CCCCC)O

DOS

IR

Vibrations