Geometry & MOs

Info

ID:

322860

PubChem CID:

126671482

Reduced:

N4O4C25H36 (1)

Stoich.:

A4B4C25D36 (1)

Weight, g/mol:

514.261377

ΔHf, kcal/mol:

-177.4

Dipole, Da:

7.28

IP(EA), eV:

 -9.75(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C#N)NC(=O)C2CC(CN2C(=O)C(C(C)(C)C)NC(=O)C(C)(C)C)O

DOS

IR

Vibrations