Geometry & MOs

Info

ID:	59317
PubChem CID:	24778957
Reduced:	NPO8C50H98 (1)
Stoich.:	ABC8D50E98 (1)
Weight, g/mol:	757.562156
ΔH_f, kcal/mol:	-585.46
Dipole, Da:	11.38
IP(EA), eV:	-9.49(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-hexadecanoyloxy-3-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

DOS

IR

Vibrations