Geometry & MOs

Info

ID:	59507
PubChem CID:	24875188
Reduced:	SF3N3O6H24C29 (1)
Stoich.:	AB3C3D6E24F29 (1)
Weight, g/mol:	484.145678
ΔH_f, kcal/mol:	-269.3
Dipole, Da:	11.18
IP(EA), eV:	-9.23(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-amino-1-[3-(3-methoxyphenyl)phenyl]isoindol-1-yl]phenyl] methanesulfonate

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=CC(=CC=C2)C3(C4=CC=CC=C4C(=N3)N)C5=CC=C(C=C5)OS(=O)(=O)C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations