Geometry & MOs

Info

ID:

141742

PubChem CID:

52923191

Reduced:

NPO8C48H88 (1)

Stoich.:

ABC8D48E88 (1)

Weight, g/mol:

838.632581

ΔHf, kcal/mol:

-502.66

Dipole, Da:

11.44

IP(EA), eV:

 -9.12(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[[(2R)-2,3-bis[[(11Z,14Z)-icosa-11,14-dienoyl]oxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC

DOS

IR

Vibrations