Geometry & MOs

Info

ID:	122489
PubChem CID:	50808811
Reduced:	BrFON2C17H20 (1)
Stoich.:	ABCD2E17F20 (1)
Weight, g/mol:	436.04563
ΔH_f, kcal/mol:	-25.54
Dipole, Da:	4.9
IP(EA), eV:	-9.19(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C(=NO1)C)C2CCCN2CC3=C(C=CC(=C3)Br)F

DOS

IR

Vibrations