Geometry & MOs

Info

ID:	179312
PubChem CID:	76464315
Reduced:	O6C59H104 (1)
Stoich.:	A6B59C104 (1)
Weight, g/mol:	860.689391
ΔH_f, kcal/mol:	-416.15
Dipole, Da:	2.79
IP(EA), eV:	-9.43(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-heptadeca-9,12-dienoyloxy-2-octadeca-6,9,12-trienoyloxypropyl) octadeca-6,9,12-trienoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations