Geometry & MOs

Info

ID:	68483
PubChem CID:	46508504
Reduced:	ClSN2O3C14H19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	324.150764
ΔH_f, kcal/mol:	-134.38
Dipole, Da:	5.86
IP(EA), eV:	-9.05(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-5-methylsulfonylanilino)-1-(3-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NCC(=O)NC2(CCS(=O)(=O)C2)C

DOS

IR

Vibrations