Geometry & MOs

Info

ID:	31028
PubChem CID:	854176
Reduced:	OSN2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	249.063722
ΔH_f, kcal/mol:	-15.19
Dipole, Da:	4.87
IP(EA), eV:	-9.32(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)N

DOS

IR

Vibrations