Geometry & MOs

Info

ID:	447254
PubChem CID:	135281494
Reduced:	FSCl2N2O7C34H35 (1)
Stoich.:	ABC2D2E7F34G35 (1)
Weight, g/mol:	518.96398
ΔH_f, kcal/mol:	-291.36
Dipole, Da:	6.99
IP(EA), eV:	-9.57(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-bromo-1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]-3-(4-chlorophenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C1CCOCC1)(C2=CC3=C(C(=C2)F)[C@@](N(C3=O)CC4=C(C=C(C=C4)Cl)S(=O)(=O)C)(C5=CC=C(C=C5)Cl)OCC6(CC6)C(=O)N)O

DOS

IR

Vibrations