Geometry & MOs

Info

ID:

59325

PubChem CID:

24778984

Reduced:

NPO8C48H80 (1)

Stoich.:

ABC8D48E80 (1)

Weight, g/mol:

773.499555

ΔHf, kcal/mol:

-415.29

Dipole, Da:

12.02

IP(EA), eV:

-9.22(-0.39)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(2R)-2,3-bis[[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

DOS

IR

Vibrations