Geometry & MOs

Info

ID:	142424
PubChem CID:	53032450
Reduced:	NF2S2O3H15C20 (1)
Stoich.:	AB2C2D3E15F20 (1)
Weight, g/mol:	401.055564
ΔH_f, kcal/mol:	-150.32
Dipole, Da:	7.54
IP(EA), eV:	-9.06(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-fluorophenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)C2=CSC3=C2NC(=O)CC3C4=C(C=CC(=C4)F)F

DOS

IR

Vibrations