Geometry & MOs

Info

ID:	82278
PubChem CID:	49855840
Reduced:	O6C43H82 (1)
Stoich.:	A6B43C82 (1)
Weight, g/mol:	747.645795
ΔH_f, kcal/mol:	-445.38
Dipole, Da:	2.95
IP(EA), eV:	-10.68(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(Z)-octadec-9-enoyl]oxy-2-(113C)octanoyloxypropyl] (Z)-octadec-9-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)O[13C](=O)CCCCCCC

DOS

IR

Vibrations