Geometry & MOs

Info

ID:

141777

PubChem CID:

52927224

Reduced:

PO10C42H81 (1)

Stoich.:

AB10C42D81 (1)

Weight, g/mol:

784.561821

ΔHf, kcal/mol:

-652.88

Dipole, Da:

4.61

IP(EA), eV:

 -9.43(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations