Geometry & MOs

Info

ID:	278611
PubChem CID:	103836645
Reduced:	BrSN2O3C11H17 (1)
Stoich.:	ABC2D3E11F17 (1)
Weight, g/mol:	300.094392
ΔH_f, kcal/mol:	-105.56
Dipole, Da:	4.18
IP(EA), eV:	-10.23(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-4-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNS(=O)(=O)C1=CC(=CN=C1)Br

DOS

IR

Vibrations