Geometry & MOs

Info

ID:	143062
PubChem CID:	53141052
Reduced:	ClN3O3H14C18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	428.067822
ΔH_f, kcal/mol:	10.23
Dipole, Da:	3.42
IP(EA), eV:	-9.08(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-N-(6-acetyl-1,3-benzodioxol-5-yl)-6-hydroxy-3-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC2=NC(=NO2)C3=CC4=C(C=C3)OC(=N4)C

DOS

IR

Vibrations