Geometry & MOs

Info

ID:

141738

PubChem CID:

52922466

Reduced:

NPO8C44H77 (1)

Stoich.:

ABC8D44E77 (1)

Weight, g/mol:

809.593456

ΔHf, kcal/mol:

-414.88

Dipole, Da:

3.76

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.751334

Charge, e:

0

Chem-info

IUPAC name:

[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

DOS

IR

Vibrations