Geometry & MOs

Info

ID:	9944
PubChem CID:	95182
Reduced:	SO8C24H42 (1)
Stoich.:	AB8C24D42 (1)
Weight, g/mol:	490.260039
ΔH_f, kcal/mol:	-425.03
Dipole, Da:	3.17
IP(EA), eV:	-9.31(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibutyl 2-(1,4-dibutoxy-1,4-dioxobutan-2-yl)sulfanylbutanedioate

Drug info:

PubChemData

Smile

CCCCOC(=O)CC(C(=O)OCCCC)SC(CC(=O)OCCCC)C(=O)OCCCC

DOS

IR

Vibrations