Geometry & MOs

Info

ID:	267043
PubChem CID:	103580526
Reduced:	BrClSO2N3H7C12 (1)
Stoich.:	ABCD2E3F7G12 (1)
Weight, g/mol:	339.96296
ΔH_f, kcal/mol:	16.56
Dipole, Da:	3.86
IP(EA), eV:	-10.03(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-cyanophenyl)-1-methylpyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)Cl)NS(=O)(=O)C2=CC(=CN=C2)Br

DOS

IR

Vibrations