Geometry & MOs

Info

ID:	122542
PubChem CID:	50811315
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	329.034435
ΔH_f, kcal/mol:	-117.58
Dipole, Da:	4.72
IP(EA), eV:	-8.42(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)NCCOC)C4=CC=CC=C4OC)C(=O)C1)C

DOS

IR

Vibrations