Geometry & MOs

Info

ID:	278494
PubChem CID:	103836290
Reduced:	FNSO5C13H18 (1)
Stoich.:	ABCD5E13F18 (1)
Weight, g/mol:	333.081698
ΔH_f, kcal/mol:	-235.03
Dipole, Da:	6.28
IP(EA), eV:	-9.7(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(3-methylsulfanylcyclopentyl)sulfamoyl]-1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CNS(=O)(=O)C1=C(C=CC(=C1)F)C(=O)OC)OC

DOS

IR

Vibrations