Geometry & MOs

Info

ID:	141731
PubChem CID:	52922307
Reduced:	NPO8C38H75 (1)
Stoich.:	ABC8D38E75 (1)
Weight, g/mol:	731.546505
ΔH_f, kcal/mol:	-483.27
Dipole, Da:	7.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.755868
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCC

DOS

IR

Vibrations