Geometry & MOs

Info

ID:	38709
PubChem CID:	8137798
Reduced:	NO4H21C22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	418.152872
ΔH_f, kcal/mol:	-90.74
Dipole, Da:	1.84
IP(EA), eV:	-8.67(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-naphthalen-2-yloxyacetate

Drug info:

PubChemData

Smile

CN(C)C(=O)[C@H](C1=CC=CC=C1)OC(=O)COC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations