Geometry & MOs

Info

ID:	82280
PubChem CID:	49855842
Reduced:	O6C47H82 (1)
Stoich.:	A6B47C82 (1)
Weight, g/mol:	583.489295
ΔH_f, kcal/mol:	-368.83
Dipole, Da:	4.55
IP(EA), eV:	-9.49(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-dodecanoyloxy-2-(113C)octanoyloxypropyl) dodecanoate

Drug info:

PubChemData

Smile

CCCCCCC[13C](=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC

DOS

IR

Vibrations