Geometry & MOs

Info

ID:	141741
PubChem CID:	52923120
Reduced:	NPO8C46H85 (1)
Stoich.:	ABC8D46E85 (1)
Weight, g/mol:	837.624756
ΔH_f, kcal/mol:	-444.96
Dipole, Da:	15.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.757391
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2,3-bis[[(11Z,14Z)-icosa-11,14-dienoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations