Geometry & MOs

Info

ID:	10299
PubChem CID:	100078
Reduced:	O8C57H100 (1)
Stoich.:	A8B57C100 (1)
Weight, g/mol:	912.74182
ΔH_f, kcal/mol:	-502.42
Dipole, Da:	2.94
IP(EA), eV:	-8.77(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-docosanoyloxy-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]propyl] docosanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)C=CC1=CC(=C(C=C1)O)OC

DOS

IR

Vibrations