Geometry & MOs

Info

ID:

141797

PubChem CID:

52928476

Reduced:

PO12C49H93 (1)

Stoich.:

AB12C49D93 (1)

Weight, g/mol:

678.426056

ΔHf, kcal/mol:

-735.72

Dipole, Da:

6.64

IP(EA), eV:

 -9.54(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-phosphonooxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC

DOS

IR

Vibrations