Geometry & MOs

Info

ID:	185026
PubChem CID:	77241713
Reduced:	Cl2O3N9H29C31 (1)
Stoich.:	A2B3C9D29E31 (1)
Weight, g/mol:	479.058283
ΔH_f, kcal/mol:	40.56
Dipole, Da:	11.91
IP(EA), eV:	-9.33(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[3-methyl-1-(2-methylsulfonylphenoxy)-1-oxo-4-(sulfinatoamino)butan-2-yl]-1,3-dioxoisoindole

Drug info:

PubChemData

Smile

C1CC2C(C(C1)C3=C(N=C(N3)C(CC4=CC=CC=C4)NC(=O)C=CC5=C(C=CC(=C5)Cl)N6C=NN=N6)Cl)NC(=O)C(C2O)C#N

DOS

IR

Vibrations