Geometry & MOs

Info

ID:	201187
PubChem CID:	79503287
Reduced:	OSN5H9C10 (1)
Stoich.:	ABC5D9E10 (1)
Weight, g/mol:	339.96296
ΔH_f, kcal/mol:	68.57
Dipole, Da:	8.85
IP(EA), eV:	-9.8(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(4-cyano-2-methylpyrazol-3-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(=O)NC2=C(C=NN2C)C#N

DOS

IR

Vibrations