Geometry & MOs

Info

ID:	143924
PubChem CID:	53282810
Reduced:	SCl2N2O3C23H26 (1)
Stoich.:	AB2C2D3E23F26 (1)
Weight, g/mol:	472.079047
ΔH_f, kcal/mol:	-118.41
Dipole, Da:	4.76
IP(EA), eV:	-9.49(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)NC(=O)C3CCCN(C3)S(=O)(=O)CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations