Geometry & MOs

Info

ID:	176392
PubChem CID:	76042744
Reduced:	P3O19C45H81 (1)
Stoich.:	A3B19C45D81 (1)
Weight, g/mol:	776.556736
ΔH_f, kcal/mol:	-1122.94
Dipole, Da:	9.05
IP(EA), eV:	-9.49(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-octadec-11-enoyloxypropyl] octadecanoate

Drug info:

PubChemData

Smile

CCCCCCC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O

DOS

IR

Vibrations