Geometry & MOs

Info

ID:

145212

PubChem CID:

53479146

Reduced:

NPO7C46H81 (1)

Stoich.:

ABC7D46E81 (1)

Weight, g/mol:

867.671706

ΔHf, kcal/mol:

-316.38

Dipole, Da:

4.3

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.780097

Charge, e:

0

Chem-info

IUPAC name:

[(2R)-3-docosanoyloxy-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations