Geometry & MOs

Info

ID:	141798
PubChem CID:	52929026
Reduced:	PO8C38H63 (1)
Stoich.:	AB8C38D63 (1)
Weight, g/mol:	716.535606
ΔH_f, kcal/mol:	-434.22
Dipole, Da:	5.38
IP(EA), eV:	-9.44(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-phosphonooxypropyl] henicosanoate

Drug info:

PubChemData

Smile

CCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)O

DOS

IR

Vibrations