Geometry & MOs

Info

ID:	127145
PubChem CID:	50992662
Reduced:	NSI3O5H6C10 (1)
Stoich.:	ABC3D5E6F10 (1)
Weight, g/mol:	226.109454
ΔH_f, kcal/mol:	-79.79
Dipole, Da:	3.57
IP(EA), eV:	-8.87(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2S,3R)-1,2,3,4-tetradeuterio-4-oxo(1,2,3,4-13C4)butyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=C(C(=C1I)N=S=O)I)C(=O)OC)I

DOS

IR

Vibrations