Geometry & MOs

Info

ID:

12242

PubChem CID:

133451

Reduced:

NPO9C44H86 (1)

Stoich.:

ABC9D44E86 (1)

Weight, g/mol:

803.60402

ΔHf, kcal/mol:

-534.78

Dipole, Da:

5.09

IP(EA), eV:

 -9.48(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-3-octadecanoyloxy-2-[8-[(2R,3S)-3-octyloxiran-2-yl]octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@@H]1[C@@H](O1)CCCCCCCC

DOS

IR

Vibrations