Geometry & MOs

Info

ID:

141785

PubChem CID:

52927408

Reduced:

PO9C44H85 (1)

Stoich.:

AB9C44D85 (1)

Weight, g/mol:

788.447579

ΔHf, kcal/mol:

-576.3

Dipole, Da:

5.75

IP(EA), eV:

 -9.44(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\CCCCCCCC

DOS

IR

Vibrations