Geometry & MOs

Info

ID:	179307
PubChem CID:	76463969
Reduced:	O5C43H74 (1)
Stoich.:	A5B43C74 (1)
Weight, g/mol:	666.522325
ΔH_f, kcal/mol:	-298.35
Dipole, Da:	1.02
IP(EA), eV:	-9.42(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hydroxy-3-octadeca-6,9,12,15-tetraenoyloxypropan-2-yl) docosa-10,13,16-trienoate

Drug info:

PubChemData

Smile

CCCCCCCCCCC=CCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCC=CCC=CCC=CCC=CCC

DOS

IR

Vibrations