Geometry & MOs

Info

ID:

434322

PubChem CID:

135174686

Reduced:

NO4C25H37 (1)

Stoich.:

AB4C25D37 (1)

Weight, g/mol:

562.261377

ΔHf, kcal/mol:

-144.07

Dipole, Da:

6.9

IP(EA), eV:

 -8.86(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-hydroxy-1-[1-hydroxy-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butyl]-N-[1-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C)N(C)C(=O)COCC#CC1=CC=C(C=C1)OC2CC(C2)OC(C)(C)C

DOS

IR

Vibrations