Geometry & MOs

Info

ID:	77591
PubChem CID:	49658310
Reduced:	BrSN3O4C13H14 (1)
Stoich.:	ABC3D4E13F14 (1)
Weight, g/mol:	341.084555
ΔH_f, kcal/mol:	-101.69
Dipole, Da:	8.06
IP(EA), eV:	-8.69(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-3-[(2-fluoro-5-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1)S(=O)(=O)NC2=CC=C(C=C2)Br)C(=O)OC

DOS

IR

Vibrations