Geometry & MOs

Info

ID:	89978
PubChem CID:	49965725
Reduced:	FN2S2O3H11C15 (1)
Stoich.:	AB2C2D3E11F15 (1)
Weight, g/mol:	350.019513
ΔH_f, kcal/mol:	-108.72
Dipole, Da:	5.06
IP(EA), eV:	-8.95(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C(=O)N)F

DOS

IR

Vibrations