Geometry & MOs

Info

ID:	141776
PubChem CID:	52927223
Reduced:	PO10C42H77 (1)
Stoich.:	AB10C42D77 (1)
Weight, g/mol:	776.556736
ΔH_f, kcal/mol:	-604.96
Dipole, Da:	4.09
IP(EA), eV:	-9.22(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] octadecanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations