Geometry & MOs

Info

ID:	156745
PubChem CID:	56374097
Reduced:	BrN2S3O4H15C17 (1)
Stoich.:	AB2C3D4E15F17 (1)
Weight, g/mol:	437.88715
ΔH_f, kcal/mol:	-70.1
Dipole, Da:	6.03
IP(EA), eV:	-9.32(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=CS1)NS(=O)(=O)C2=CSC(=N2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations