Geometry & MOs

Info

ID:	158051
PubChem CID:	56459441
Reduced:	FSO4N5C17H20 (1)
Stoich.:	ABC4D5E17F20 (1)
Weight, g/mol:	419.162725
ΔH_f, kcal/mol:	-159.11
Dipole, Da:	7.13
IP(EA), eV:	-9.13(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C(=O)N)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations