Geometry & MOs

Info

ID:	124584
PubChem CID:	50888263
Reduced:	N2O4C17H17 (2)
Stoich.:	A2B4C17D17 (2)
Weight, g/mol:	277.095023
ΔH_f, kcal/mol:	-201.4
Dipole, Da:	7.38
IP(EA), eV:	-8.85(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-oxo-4-[(3-oxo-1H-2-benzofuran-5-yl)amino]butanoate

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C(C2=C(NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)C4=C(NN(C4=O)C5=CC=CC(=C5)C(=O)O)C)OC

DOS

IR

Vibrations