Geometry & MOs

Info

ID:	203609
PubChem CID:	79850843
Reduced:	NSO3C9H17 (1)
Stoich.:	ABC3D9E17 (1)
Weight, g/mol:	309.026013
ΔH_f, kcal/mol:	-132.02
Dipole, Da:	3.05
IP(EA), eV:	-9.09(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]propan-1-one

Drug info:

PubChemData

Smile

CN(CCS(=O)(=O)C)C1CCCC1=O

DOS

IR

Vibrations