Geometry & MOs

Info

ID:	141736
PubChem CID:	52922381
Reduced:	NPO8C42H81 (1)
Stoich.:	ABC8D42E81 (1)
Weight, g/mol:	773.593456
ΔH_f, kcal/mol:	-513.38
Dipole, Da:	3.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754493
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-icosanoyloxy-3-[(Z)-pentadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations