Geometry & MOs

Info

ID:	179325
PubChem CID:	76466981
Reduced:	O3C28H51 (2)
Stoich.:	A3B28C51 (2)
Weight, g/mol:	892.751991
ΔH_f, kcal/mol:	-446.79
Dipole, Da:	3.27
IP(EA), eV:	-9.55(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-heptadeca-9,12-dienoyloxy-2-octadeca-6,9,12,15-tetraenoyloxypropyl) icosanoate

Drug info:

PubChemData

Smile

CCCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

DOS

IR

Vibrations