Geometry & MOs

Info

ID:	343955
PubChem CID:	127267131
Reduced:	FSN3O3C13H16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	338.08489
ΔH_f, kcal/mol:	-113.73
Dipole, Da:	4.29
IP(EA), eV:	-9.18(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluoro-5-hydroxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)CN1C=C(C=N1)NS(=O)(=O)C2=CC(=CC(=C2)F)O

DOS

IR

Vibrations