Geometry & MOs

Info

ID:	11286
PubChem CID:	113203
Reduced:	O4C12H19 (2)
Stoich.:	A4B12C19 (2)
Weight, g/mol:	454.256668
ΔH_f, kcal/mol:	-369.33
Dipole, Da:	0.63
IP(EA), eV:	-10.87(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-[4-(4-hexoxy-4-oxobut-2-enoyl)oxybutyl] 1-O-hexyl but-2-enedioate

Drug info:

PubChemData

Smile

CCCCCCOC(=O)C=CC(=O)OCCCCOC(=O)C=CC(=O)OCCCCCC

DOS

IR

Vibrations