Geometry & MOs

Info

ID:	122544
PubChem CID:	50811565
Reduced:	NSF2O2H15C20 (1)
Stoich.:	ABC2D2E15F20 (1)
Weight, g/mol:	411.130443
ΔH_f, kcal/mol:	-104.0
Dipole, Da:	5.4
IP(EA), eV:	-8.66(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CSC3=C2NC(=O)CC3C4=C(C(=CC=C4)F)F

DOS

IR

Vibrations