Geometry & MOs

Info

ID:

145213

PubChem CID:

53479147

Reduced:

NPO8C50H94 (1)

Stoich.:

ABC8D50E94 (1)

Weight, g/mol:

786.601281

ΔHf, kcal/mol:

-526.49

Dipole, Da:

14.73

IP(EA), eV:

 -9.68(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[[(2R)-3-[(Z)-docos-13-enoyl]oxy-2-[(Z)-tetradec-9-enoyl]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\CCCCCCCC

DOS

IR

Vibrations