Geometry & MOs

Info

ID:	125783
PubChem CID:	50938006
Reduced:	ON3C19H37 (1)
Stoich.:	AB3C19D37 (1)
Weight, g/mol:	281.072179
ΔH_f, kcal/mol:	-71.3
Dipole, Da:	3.61
IP(EA), eV:	-8.6(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetamido-4-oxo-6,7-dihydro-5H-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC[NH+]1CCC[C@H]1C[NH2+]CC(=O)N[C@@]2([C@H]3CC[C@H](C3)C2(C)C)C

DOS

IR

Vibrations