Geometry & MOs

Info

ID:	447259
PubChem CID:	135281527
Reduced:	ClN3O3H22C24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	635.0641
ΔH_f, kcal/mol:	-22.85
Dipole, Da:	3.55
IP(EA), eV:	-8.65(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-chlorophenyl)methyl]-3-(4-chlorophenyl)-4-fluoro-6-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-3-methoxyisoindol-1-one

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=C(C=C1)C2=CC3=NC(=CN3C=C2)C4=CC(=C(C=C4OC)OC)Cl)N

DOS

IR

Vibrations