Geometry & MOs

Info

ID:	30166
PubChem CID:	840415
Reduced:	ClNO4H8C11 (1)
Stoich.:	ABC4D8E11 (1)
Weight, g/mol:	278.053886
ΔH_f, kcal/mol:	-142.78
Dipole, Da:	6.77
IP(EA), eV:	-10.53(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-nitro-1,3-dioxoisoindol-2-yl)butanoic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)Cl

DOS

IR

Vibrations