Geometry & MOs

Info

ID:	343985
PubChem CID:	127267161
Reduced:	SCl2N3O3C11H15 (1)
Stoich.:	AB2C3D3E11F15 (1)
Weight, g/mol:	342.99901
ΔH_f, kcal/mol:	-100.89
Dipole, Da:	2.06
IP(EA), eV:	-9.7(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2-ethylphenyl)-1-methylpyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)NNS(=O)(=O)C1=C(N=CC(=C1)Cl)Cl

DOS

IR

Vibrations