Geometry & MOs

Info

ID:

433467

PubChem CID:

135173604

Reduced:

FSN2O5H23C24 (1)

Stoich.:

ABC2D5E23F24 (1)

Weight, g/mol:

562.261377

ΔHf, kcal/mol:

-152.64

Dipole, Da:

3.6

IP(EA), eV:

 -9.14(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[4-hydroxy-2-[hydroxy-[1-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylamino]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CS(=NC(=O)C1=CC=C(C=C1)COC2=COC(=CC2=O)CN3CC4=C(C3)C=C(C=C4)F)(=O)C

DOS

IR

Vibrations