Geometry & MOs

Info

ID:	89929
PubChem CID:	49965411
Reduced:	ClS2F3N3O4H11C17 (1)
Stoich.:	AB2C3D3E4F11G17 (1)
Weight, g/mol:	420.019826
ΔH_f, kcal/mol:	-271.91
Dipole, Da:	3.22
IP(EA), eV:	-9.09(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C(=O)N)C(F)(F)F

DOS

IR

Vibrations