Geometry & MOs

Info

ID:

141786

PubChem CID:

52927502

Reduced:

PO13C40H69 (1)

Stoich.:

AB13C40D69 (1)

Weight, g/mol:

912.57278

ΔHf, kcal/mol:

-699.48

Dipole, Da:

8.13

IP(EA), eV:

 -9.21(0.0)

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-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] (Z)-docos-11-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC

DOS

IR

Vibrations