Geometry & MOs

Info

ID:	343986
PubChem CID:	127267162
Reduced:	BrSO2N3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	342.99901
ΔH_f, kcal/mol:	-27.27
Dipole, Da:	7.07
IP(EA), eV:	-8.54(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NS(=O)(=O)C2=C(N(N=C2)C)Br

DOS

IR

Vibrations