Geometry & MOs

Info

ID:	90045
PubChem CID:	49965925
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	358.044585
ΔH_f, kcal/mol:	-56.76
Dipole, Da:	3.9
IP(EA), eV:	-8.7(-0.03)
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-carbonitrile

Drug info:

PubChemData

Smile

CCCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C(=C(C=C3)OC)OC)OC

DOS

IR

Vibrations