Geometry & MOs

Info

ID:	61675
PubChem CID:	26711682
Reduced:	BrClSN2O3C16H16 (1)
Stoich.:	ABCD2E3F16G16 (1)
Weight, g/mol:	424.10237
ΔH_f, kcal/mol:	-81.71
Dipole, Da:	4.16
IP(EA), eV:	-9.57(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)ethyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)NCCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations