Geometry & MOs

Info

ID:	122543
PubChem CID:	50811428
Reduced:	FNOS2H12C17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	371.079156
ΔH_f, kcal/mol:	-13.44
Dipole, Da:	3.98
IP(EA), eV:	-8.77(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(C2=C(C(=CS2)C3=CC(=CC=C3)F)NC1=O)C4=CSC=C4

DOS

IR

Vibrations