Geometry & MOs

Info

ID:	31029
PubChem CID:	854181
Reduced:	NO5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	249.063722
ΔH_f, kcal/mol:	-180.92
Dipole, Da:	6.25
IP(EA), eV:	-10.37(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C(=O)O)N1C(=O)C2=CC=CC=C2C1=O)O

DOS

IR

Vibrations