Geometry & MOs

Info

ID:	294066
PubChem CID:	117426213
Reduced:	FSO2N3C11H12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	269.063426
ΔH_f, kcal/mol:	-68.03
Dipole, Da:	3.93
IP(EA), eV:	-8.7(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluoro-4-methylsulfonylphenyl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C(C(=CC=C2)F)S(=O)(=O)C)N

DOS

IR

Vibrations