Geometry & MOs

Info

ID:	447452
PubChem CID:	135282991
Reduced:	BrN2O2Cl3H12C20 (1)
Stoich.:	AB2C2D3E12F20 (1)
Weight, g/mol:	475.9694
ΔH_f, kcal/mol:	-15.86
Dipole, Da:	2.68
IP(EA), eV:	-9.75(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-6-bromo-3-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-3-methoxyisoindol-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2(C3=C(C=C(C=C3Cl)Br)C(=O)N2CC4=NC=C(C=C4)Cl)O)Cl

DOS

IR

Vibrations