Geometry & MOs

Info

ID:	124586
PubChem CID:	50888265
Reduced:	ClN4O4C20H23 (1)
Stoich.:	AB4C4D20E23 (1)
Weight, g/mol:	291.110673
ΔH_f, kcal/mol:	-73.26
Dipole, Da:	5.55
IP(EA), eV:	-8.89(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-oxo-5-[(3-oxo-1H-2-benzofuran-5-yl)amino]pentanoate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)Cl)OCC=C

DOS

IR

Vibrations