Geometry & MOs

Info

ID:	89905
PubChem CID:	49965311
Reduced:	SO4N5C21H21 (1)
Stoich.:	AB4C5D21E21 (1)
Weight, g/mol:	457.037783
ΔH_f, kcal/mol:	-57.08
Dipole, Da:	9.33
IP(EA), eV:	-8.09(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-7-oxo-2-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)NC4=C3SC(=N4)NC)N)C#N)OC

DOS

IR

Vibrations