Geometry & MOs

Info

ID:

59515

PubChem CID:

24875229

Reduced:

N2S2F3O9H27C31 (1)

Stoich.:

A2B2C3D9E27F31 (1)

Weight, g/mol:

578.118144

ΔHf, kcal/mol:

-415.76

Dipole, Da:

5.88

IP(EA), eV:

 -8.93(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-amino-1-[3-(3-methoxy-5-methylsulfonyloxyphenyl)phenyl]isoindol-1-yl]phenyl] methanesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations