Geometry & MOs

Info

ID:	374731
PubChem CID:	131342562
Reduced:	NSO3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	211.030314
ΔH_f, kcal/mol:	-87.91
Dipole, Da:	4.38
IP(EA), eV:	-10.06(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-oxo-5,7-dihydro-1H-thieno[3,4-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CC2=C(C(=O)C1)N=CS2

DOS

IR

Vibrations