Geometry & MOs

Info

ID:	131149
PubChem CID:	51164707
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	378.161329
ΔH_f, kcal/mol:	-60.24
Dipole, Da:	3.7
IP(EA), eV:	-8.89(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations