Geometry & MOs

Info

ID:	122481
PubChem CID:	50808776
Reduced:	ClSN2O4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	436.122356
ΔH_f, kcal/mol:	-124.93
Dipole, Da:	8.49
IP(EA), eV:	-8.3(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=CC=CC=C3Cl

DOS

IR

Vibrations