Geometry & MOs

Info

ID:	203612
PubChem CID:	79850846
Reduced:	NCl2S2O3C10H13 (1)
Stoich.:	AB2C2D3E10F13 (1)
Weight, g/mol:	235.124215
ΔH_f, kcal/mol:	-93.71
Dipole, Da:	4.49
IP(EA), eV:	-9.5(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-[methyl(2-methylsulfonylethyl)amino]butan-2-one

Drug info:

PubChemData

Smile

CN(CCS(=O)(=O)C)CC(=O)C1=C(SC(=C1)Cl)Cl

DOS

IR

Vibrations