Geometry & MOs

Info

ID:	142423
PubChem CID:	53032060
Reduced:	O3N4H16C20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	419.046142
ΔH_f, kcal/mol:	14.66
Dipole, Da:	6.07
IP(EA), eV:	-8.75(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=O)COC2=C1C=C(C=C2)C3=NOC(=N3)C4=C5C=CNC5=CC=C4

DOS

IR

Vibrations