Geometry & MOs

Info

ID:	235369
PubChem CID:	92309668
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	404.069448
ΔH_f, kcal/mol:	-90.53
Dipole, Da:	5.19
IP(EA), eV:	-8.5(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2=CC=CC3=C2C(=O)N(C3)C[C@H]4CCCO4

DOS

IR

Vibrations