Geometry & MOs

Info

ID:	82438
PubChem CID:	49856030
Reduced:	O3C24H44 (2)
Stoich.:	A3B24C44 (2)
Weight, g/mol:	757.630145
ΔH_f, kcal/mol:	-418.68
Dipole, Da:	3.87
IP(EA), eV:	-9.55(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(113C)nonanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O[13C](=O)CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC

DOS

IR

Vibrations