Geometry & MOs

Info

ID:	90049
PubChem CID:	49965935
Reduced:	ClSO2N3H16C20 (1)
Stoich.:	ABC2D3E16F20 (1)
Weight, g/mol:	376.055149
ΔH_f, kcal/mol:	37.57
Dipole, Da:	7.35
IP(EA), eV:	-8.7(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2-[2-(4-methoxyphenyl)ethylsulfanyl]-7-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC3=CN=C(C=C3)Cl)OC

DOS

IR

Vibrations