Geometry & MOs

Info

ID:

141737

PubChem CID:

52922382

Reduced:

NPO8C43H84 (1)

Stoich.:

ABC8D43E84 (1)

Weight, g/mol:

778.53868

ΔHf, kcal/mol:

-541.99

Dipole, Da:

17.72

IP(EA), eV:

 -9.33(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[[(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C

DOS

IR

Vibrations