Geometry & MOs

Info

ID:

141739

PubChem CID:

52922743

Reduced:

NPO8C46H84 (1)

Stoich.:

ABC8D46E84 (1)

Weight, g/mol:

849.624756

ΔHf, kcal/mol:

-490.19

Dipole, Da:

13.88

IP(EA), eV:

 -9.41(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-[(Z)-nonadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations