Geometry & MOs

Info

ID:	158686
PubChem CID:	56464705
Reduced:	ClSO2N3H12C17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	396.050396
ΔH_f, kcal/mol:	30.24
Dipole, Da:	4.99
IP(EA), eV:	-8.85(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CN(C=C1)C2=CC=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)C#N

DOS

IR

Vibrations