Geometry & MOs

Info

ID:	220639
PubChem CID:	85198121
Reduced:	NO5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	343.087829
ΔH_f, kcal/mol:	-168.12
Dipole, Da:	3.51
IP(EA), eV:	-9.18(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-acetyl-4,7-dimethyl-2-oxo-3H-[1]benzothiolo[3,2-b]pyridine-9-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)OC

DOS

IR

Vibrations