Geometry & MOs

Info

ID:	59506
PubChem CID:	24875185
Reduced:	FSN3O3H20C26 (1)
Stoich.:	ABC3D3E20F26 (1)
Weight, g/mol:	599.133791
ΔH_f, kcal/mol:	-31.42
Dipole, Da:	4.01
IP(EA), eV:	-8.97(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-amino-1-[3-(5-methoxypyridin-3-yl)phenyl]isoindol-1-yl]phenyl] methanesulfonate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=N2)N)C4=CC=CC(=C4)C5=C(N=CC=C5)F

DOS

IR

Vibrations