Geometry & MOs

Info

ID:	237971
PubChem CID:	92723327
Reduced:	SF3N3O3C20H20 (1)
Stoich.:	AB3C3D3E20F20 (1)
Weight, g/mol:	397.076613
ΔH_f, kcal/mol:	-233.14
Dipole, Da:	4.03
IP(EA), eV:	-9.67(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)CCC1=NS(=O)(=O)C2=C(N1)C=C(C=C2)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations