Geometry & MOs

Info

ID:	89976
PubChem CID:	49965704
Reduced:	ClO3N5H16C20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	421.022469
ΔH_f, kcal/mol:	-1.59
Dipole, Da:	3.96
IP(EA), eV:	-9.29(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanyl-7-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC4=CC=CC=C4N=C3Cl

DOS

IR

Vibrations