Geometry & MOs

Info

ID:	171770
PubChem CID:	75424540
Reduced:	ClN2S2O3H15C16 (1)
Stoich.:	AB2C2D3E15F16 (1)
Weight, g/mol:	419.151492
ΔH_f, kcal/mol:	-73.16
Dipole, Da:	4.72
IP(EA), eV:	-8.37(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-6-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1SC)S(=O)(=O)C2=C(C=C3C(=C2)CC(=O)N3)Cl

DOS

IR

Vibrations