Geometry & MOs

Info

ID:	36505
PubChem CID:	8007706
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	388.199822
ΔH_f, kcal/mol:	-62.72
Dipole, Da:	1.26
IP(EA), eV:	-8.82(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate

Drug info:

PubChemData

Smile

C/C=C/C=C/C(=O)OCC(=O)N1[C@H](CC(=N1)C2=CC=C(C=C2)C)C3=CC=CO3

DOS

IR

Vibrations