Geometry & MOs

Info

ID:

15664

PubChem CID:

447062

Reduced:

NPO8C33H67 (1)

Stoich.:

ABC8D33E67 (1)

Weight, g/mol:

636.46043

ΔHf, kcal/mol:

-515.2

Dipole, Da:

4.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754474

Charge, e:

 1

Chem-info

IUPAC name:

2-[hydroxy-[(2R)-3-tetradecanoyloxy-2-undecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC

DOS

IR

Vibrations