Geometry & MOs

Info

ID:

59301

PubChem CID:

24778832

Reduced:

NPO8C44H80 (1)

Stoich.:

ABC8D44E80 (1)

Weight, g/mol:

781.562156

ΔHf, kcal/mol:

-476.72

Dipole, Da:

15.37

IP(EA), eV:

 -9.06(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-3-octadecanoyloxy-2-[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCC

DOS

IR

Vibrations