Geometry & MOs

Info

ID:	141782
PubChem CID:	52927306
Reduced:	PO9C45H89 (1)
Stoich.:	AB9C45D89 (1)
Weight, g/mol:	820.655722
ΔH_f, kcal/mol:	-595.74
Dipole, Da:	1.71
IP(EA), eV:	-8.77(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-icosoxypropan-2-yl] icosanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\CCCCCCCCC

DOS

IR

Vibrations