Geometry & MOs

Info

ID:	196886
PubChem CID:	78889919
Reduced:	SF3N3O3H14C17 (1)
Stoich.:	AB3C3D3E14F17 (1)
Weight, g/mol:	385.109627
ΔH_f, kcal/mol:	-178.96
Dipole, Da:	8.04
IP(EA), eV:	-9.1(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(1-phenylpyrazol-3-yl)methylsulfamoyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=CC(=N2)CNS(=O)(=O)C3=CC=CC=C3OC(F)(F)F

DOS

IR

Vibrations