Geometry & MOs

Info

ID:	277478
PubChem CID:	103828858
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	350.00999
ΔH_f, kcal/mol:	-31.54
Dipole, Da:	2.59
IP(EA), eV:	-9.23(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)S(=O)(=O)N2CCCNCC2

DOS

IR

Vibrations