Geometry & MOs

Info

ID:	278133
PubChem CID:	103833652
Reduced:	FNSO5C13H16 (1)
Stoich.:	ABCD5E13F16 (1)
Weight, g/mol:	303.125277
ΔH_f, kcal/mol:	-206.36
Dipole, Da:	2.28
IP(EA), eV:	-9.87(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(3-methylpentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1(COC1)CNS(=O)(=O)C2=C(C=CC(=C2)F)C(=O)OC

DOS

IR

Vibrations