Geometry & MOs

Info

ID:	138150
PubChem CID:	52318065
Reduced:	FO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	301.052112
ΔH_f, kcal/mol:	-51.99
Dipole, Da:	4.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.824474
Charge, e:	0

Chem-info

IUPAC name:

6-[hydroxy-(pyridin-2-ylmethylamino)methylidene]-4H-thieno[3,2-b]pyridine-5,7-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCC(CC2)C3=NC(=NO3)C4=CC(=CC=C4)F

DOS

IR

Vibrations