Geometry & MOs

Info

ID:	82437
PubChem CID:	49856029
Reduced:	O3C22H42 (2)
Stoich.:	A3B22C42 (2)
Weight, g/mol:	761.661445
ΔH_f, kcal/mol:	-448.79
Dipole, Da:	4.51
IP(EA), eV:	-10.62(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(113C)nonanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations