Geometry & MOs

Info

ID:	250925
PubChem CID:	103100059
Reduced:	ClNS2O4C12H16 (1)
Stoich.:	ABC2D4E12F16 (1)
Weight, g/mol:	292.994713
ΔH_f, kcal/mol:	-148.76
Dipole, Da:	3.85
IP(EA), eV:	-9.31(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-3-one

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N2CCCC3(C2)OCCO3)Cl

DOS

IR

Vibrations