Geometry & MOs

Info

ID:

322933

PubChem CID:

126671606

Reduced:

SN4O4C28H40 (1)

Stoich.:

AB4C4D28E40 (1)

Weight, g/mol:

546.267605

ΔHf, kcal/mol:

-182.79

Dipole, Da:

1.97

IP(EA), eV:

 -9.22(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(2,2-dimethylpropanoylamino)-3,3-dimethylbutanoyl]-N-[2-fluoro-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)C(C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C(C)(C)C)O

DOS

IR

Vibrations