Geometry & MOs

Info

ID:	61966
PubChem CID:	26716338
Reduced:	ClSN2O3C23H23 (1)
Stoich.:	ABC2D3E23F23 (1)
Weight, g/mol:	458.247738
ΔH_f, kcal/mol:	-78.42
Dipole, Da:	6.26
IP(EA), eV:	-8.84(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations