Geometry & MOs

Info

ID:	144027
PubChem CID:	53302353
Reduced:	SO2N3C12H19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	419.019448
ΔH_f, kcal/mol:	-64.16
Dipole, Da:	6.36
IP(EA), eV:	-8.5(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-fluoro-3-(3-fluoro-2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)CC2=CC(=CC=C2)N

DOS

IR

Vibrations