Geometry & MOs

Info

ID:

145208

PubChem CID:

53478336

Reduced:

O5C47H82 (1)

Stoich.:

A5B47C82 (1)

Weight, g/mol:

796.622016

ΔHf, kcal/mol:

-307.96

Dipole, Da:

6.09

IP(EA), eV:

-9.44(0.3)

Spin(Sz, S2):

None, None

Charge, e:

1

Chem-info

IUPAC name:

2-[hydroxy-[3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-2-[(Z)-octadec-1-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC

DOS

IR

Vibrations