Geometry & MOs

Info

ID:	298646
PubChem CID:	117653461
Reduced:	FSCl2O3N4H9C19 (1)
Stoich.:	ABC2D3E4F9G19 (1)
Weight, g/mol:	330.050813
ΔH_f, kcal/mol:	-20.29
Dipole, Da:	3.57
IP(EA), eV:	-9.68(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-3-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)NC2=NC=C(C=C2)F)C#N)OC3=CC(=C(C(=C3)Cl)C#N)Cl

DOS

IR

Vibrations