Geometry & MOs

Info

ID:	447416
PubChem CID:	135282735
Reduced:	BrFCl2N3O3H19C24 (1)
Stoich.:	ABC2D3E3F19G24 (1)
Weight, g/mol:	564.99709
ΔH_f, kcal/mol:	-106.26
Dipole, Da:	3.16
IP(EA), eV:	-9.77(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-bromo-1-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-7-fluoro-3-oxoisoindol-1-yl]oxy-2-methylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](COC1(C2=C(C=C(C=C2F)Br)C(=O)N1CC3=NC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations