Geometry & MOs

Info

ID:	24757
PubChem CID:	613092
Reduced:	SN2O3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	266.072513
ΔH_f, kcal/mol:	-100.4
Dipole, Da:	5.39
IP(EA), eV:	-8.2(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C(SC2=N1)C(=O)OC)N)COC

DOS

IR

Vibrations