Geometry & MOs

Info

ID:

145211

PubChem CID:

53479145

Reduced:

NPO7C46H80 (1)

Stoich.:

ABC7D46E80 (1)

Weight, g/mol:

790.575066

ΔHf, kcal/mol:

-373.41

Dipole, Da:

13.4

IP(EA), eV:

-8.5(-0.38)

Spin(Sz, S2):

None, None

Charge, e:

1

Chem-info

IUPAC name:

2-[hydroxy-[3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-2-[(1Z,9Z)-octadeca-1,9-dienoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium

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