Geometry & MOs

Info

ID:	235370
PubChem CID:	92309675
Reduced:	Cl2N2O3H18C20 (1)
Stoich.:	A2B2C3D18E20 (1)
Weight, g/mol:	404.069448
ΔH_f, kcal/mol:	-95.17
Dipole, Da:	5.86
IP(EA), eV:	-8.94(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindole-4-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2CC3=C(C2=O)C(=CC=C3)C(=O)NC4=C(C=CC(=C4)Cl)Cl

DOS

IR

Vibrations