Geometry & MOs

Info

ID:	179314
PubChem CID:	76464784
Reduced:	O6C53H90 (1)
Stoich.:	A6B53C90 (1)
Weight, g/mol:	852.720691
ΔH_f, kcal/mol:	-359.57
Dipole, Da:	4.71
IP(EA), eV:	-9.38(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-heptadeca-9,12-dienoyloxy-3-tridecanoyloxypropyl) docosa-10,13,16-trienoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC=CCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCC=CCC

DOS

IR

Vibrations