Geometry & MOs

Info

ID:

432223

PubChem CID:

135172355

Reduced:

ON9C20H29 (1)

Stoich.:

AB9C20D29 (1)

Weight, g/mol:

556.308327

ΔHf, kcal/mol:

75.02

Dipole, Da:

4.3

IP(EA), eV:

 -8.02(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(2,4-dimethylpentanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCO/C(=C(/C=C\N)\C1=NC2=C(C(=C1)NCC3=NN(C=N3)C)C(=NN2C)C(C)C)/N

DOS

IR

Vibrations