Geometry & MOs

Info

ID:	447388
PubChem CID:	135282531
Reduced:	F3O3N4C20H21 (1)
Stoich.:	A3B3C4D20E21 (1)
Weight, g/mol:	546.01126
ΔH_f, kcal/mol:	-218.11
Dipole, Da:	3.93
IP(EA), eV:	-9.65(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-3-[(1S,3S)-3-hydroxycyclopentyl]oxyisoindol-1-one

Drug info:

PubChemData

Smile

C[C@@H](CC(C)(C)OC(=O)N)COC1=C(C=C(C=C1)C2=NC(=NC=C2)C(F)(F)F)C#N

DOS

IR

Vibrations