Geometry & MOs

Info

ID:	83960
PubChem CID:	49862882
Reduced:	SF3O4N6H15C16 (1)
Stoich.:	AB3C4D6E15F16 (1)
Weight, g/mol:	426.048385
ΔH_f, kcal/mol:	-145.46
Dipole, Da:	6.39
IP(EA), eV:	-9.16(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[5-[4-[nitroso(oxido)amino]phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)N(N=O)[O-].[NH4+]

DOS

IR

Vibrations