Geometry & MOs

Info

ID:	122545
PubChem CID:	50811571
Reduced:	FNSO3H22C23 (1)
Stoich.:	ABCD3E22F23 (1)
Weight, g/mol:	381.103479
ΔH_f, kcal/mol:	-109.99
Dipole, Da:	3.34
IP(EA), eV:	-8.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)C2CC(=O)NC3=C2SC=C3C4=CC(=CC=C4)F)OC

DOS

IR

Vibrations