Geometry & MOs

Info

ID:	89982
PubChem CID:	49965733
Reduced:	N4O5C21H24 (1)
Stoich.:	A4B5C21D24 (1)
Weight, g/mol:	407.040976
ΔH_f, kcal/mol:	-110.08
Dipole, Da:	4.06
IP(EA), eV:	-8.62(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2C(=C(OC3=NNC(=C23)CC(=O)OCC)N)C#N)OC

DOS

IR

Vibrations