Geometry & MOs

Info

ID:	141778
PubChem CID:	52927265
Reduced:	PO9C44H81 (1)
Stoich.:	AB9C44D81 (1)
Weight, g/mol:	806.640072
ΔH_f, kcal/mol:	-551.53
Dipole, Da:	4.51
IP(EA), eV:	-9.35(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-octadecoxypropan-2-yl] henicosanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC

DOS

IR

Vibrations