Geometry & MOs

Info

ID:	179318
PubChem CID:	76466516
Reduced:	O3C31H49 (2)
Stoich.:	A3B31C49 (2)
Weight, g/mol:	886.798941
ΔH_f, kcal/mol:	-286.54
Dipole, Da:	1.14
IP(EA), eV:	-9.36(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-heptadec-9-enoyloxy-3-pentadec-9-enoyloxypropyl) docosanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC

DOS

IR

Vibrations