Geometry & MOs

Info

ID:	79880
PubChem CID:	49831007
Reduced:	N5O5C34H37 (1)
Stoich.:	A5B5C34D37 (1)
Weight, g/mol:	209.014664
ΔH_f, kcal/mol:	-129.82
Dipole, Da:	8.99
IP(EA), eV:	-9.0(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2CO)C3=CN(C(=O)C(=C3)NC4=NC=C(C=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations