Geometry & MOs

Info

ID:	89917
PubChem CID:	49965357
Reduced:	N2S2O5C13H14 (1)
Stoich.:	A2B2C5D13E14 (1)
Weight, g/mol:	418.029329
ΔH_f, kcal/mol:	-186.43
Dipole, Da:	5.45
IP(EA), eV:	-9.03(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)CSC1=C(C2=C(S1)C(=O)C=C(N2)O)C(=O)N

DOS

IR

Vibrations