Geometry & MOs

Info

ID:	59302
PubChem CID:	24778834
Reduced:	NPO8C44H80 (1)
Stoich.:	ABC8D44E80 (1)
Weight, g/mol:	817.656056
ΔH_f, kcal/mol:	-485.71
Dipole, Da:	10.18
IP(EA), eV:	-8.31(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-icosanoyloxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=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