Geometry & MOs

Info

ID:	283306
PubChem CID:	103972903
Reduced:	SO6C13H24 (1)
Stoich.:	AB6C13D24 (1)
Weight, g/mol:	272.198759
ΔH_f, kcal/mol:	-296.17
Dipole, Da:	2.86
IP(EA), eV:	-10.76(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-ethyl-2-(2-ethylbutyl)propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(CCS(=O)(=O)C)(C(C)C)C(=O)OCC

DOS

IR

Vibrations