Geometry & MOs

Info

ID:	179313
PubChem CID:	76464316
Reduced:	O3C28H46 (2)
Stoich.:	A3B28C46 (2)
Weight, g/mol:	822.673741
ΔH_f, kcal/mol:	-330.64
Dipole, Da:	1.43
IP(EA), eV:	-9.44(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-dodecanoyloxy-2-octadeca-9,12,15-trienoyloxypropyl) icosa-8,11,14-trienoate

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCC=CCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCC)OC(=O)CCCCC=CCC=CCC=CCCCCC

DOS

IR

Vibrations