Geometry & MOs

Info

ID:	59321
PubChem CID:	24778972
Reduced:	NPO8C42H80 (1)
Stoich.:	ABC8D42E80 (1)
Weight, g/mol:	811.609106
ΔH_f, kcal/mol:	-509.51
Dipole, Da:	13.54
IP(EA), eV:	-9.05(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[(Z)-icos-13-enoyl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations