Geometry & MOs

Info

ID:	201522
PubChem CID:	79551027
Reduced:	SN2O3C14H30 (1)
Stoich.:	AB2C3D14E30 (1)
Weight, g/mol:	276.114378
ΔH_f, kcal/mol:	-178.3
Dipole, Da:	5.68
IP(EA), eV:	-9.59(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine-2,5-dione

Drug info:

PubChemData

Smile

CCCC(CCC(=O)NCC(C)(C)S(=O)(=O)C)CCN

DOS

IR

Vibrations