Geometry & MOs

Info

ID:

141754

PubChem CID:

52923471

Reduced:

NPO8C50H92 (1)

Stoich.:

ABC8D50E92 (1)

Weight, g/mol:

866.663881

ΔHf, kcal/mol:

-440.39

Dipole, Da:

7.51

IP(EA), eV:

 -8.53(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[[(2R)-3-docosanoyloxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations