Geometry & MOs

Info

ID:

141775

PubChem CID:

52926779

Reduced:

PO10C42H81 (1)

Stoich.:

AB10C42D81 (1)

Weight, g/mol:

772.525436

ΔHf, kcal/mol:

-651.51

Dipole, Da:

4.89

IP(EA), eV:

 -9.53(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (Z)-octadec-9-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\CCCCCC

DOS

IR

Vibrations