Geometry & MOs

Info

ID:	247944
PubChem CID:	103077663
Reduced:	BrClFSN2O2C11H13 (1)
Stoich.:	ABCDE2F2G11H13 (1)
Weight, g/mol:	419.938
ΔH_f, kcal/mol:	-108.05
Dipole, Da:	4.22
IP(EA), eV:	-9.27(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methylsulfinylbutyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1CC(C1)NS(=O)(=O)C2=CC(=C(C(=C2F)N)Br)Cl

DOS

IR

Vibrations