Geometry & MOs

Info

ID:	89927
PubChem CID:	49965409
Reduced:	OS2N4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	423.011426
ΔH_f, kcal/mol:	49.34
Dipole, Da:	7.2
IP(EA), eV:	-8.92(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CSC2=NC(=NC(=C2C#N)SC)N

DOS

IR

Vibrations