Geometry & MOs

Info

ID:	343989
PubChem CID:	127267165
Reduced:	SF3N3O3C12H12 (1)
Stoich.:	AB3C3D3E12F12 (1)
Weight, g/mol:	349.070797
ΔH_f, kcal/mol:	-210.15
Dipole, Da:	6.78
IP(EA), eV:	-8.75(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)N(C)S(=O)(=O)C2=CC(=CC(=C2)O)C(F)(F)F

DOS

IR

Vibrations