Geometry & MOs

Info

ID:

59300

PubChem CID:

24778828

Reduced:

NPO8C44H84 (1)

Stoich.:

ABC8D44E84 (1)

Weight, g/mol:

781.562156

ΔHf, kcal/mol:

-520.44

Dipole, Da:

12.98

IP(EA), eV:

 -9.73(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-octadecanoyloxy-2-[(5Z,8Z,11Z,14Z)-octadeca-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC

DOS

IR

Vibrations