Geometry & MOs

Info

ID:	133477
PubChem CID:	51532240
Reduced:	N2F3O3H17C19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	426.04404
ΔH_f, kcal/mol:	-236.06
Dipole, Da:	6.88
IP(EA), eV:	-9.21(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-iodophenyl)propanamide

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)CC2=CC=CC=C2C(F)(F)F)C3=CC=C(C=C3)OC

DOS

IR

Vibrations