Geometry & MOs

Info

ID:	122490
PubChem CID:	50808819
Reduced:	BrSN2O3C19H21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	431.10704
ΔH_f, kcal/mol:	-85.45
Dipole, Da:	2.6
IP(EA), eV:	-9.16(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methylsulfonyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations