Geometry & MOs

Info

ID:

322881

PubChem CID:

126671522

Reduced:

ON3C25H35 (1)

Stoich.:

AB3C25D35 (1)

Weight, g/mol:

643.340355

ΔHf, kcal/mol:

-4.07

Dipole, Da:

1.15

IP(EA), eV:

 -8.24(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[4-[1-[[1-[2-(2,2-dimethylpropanoylamino)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]ethyl]phenyl]-1,3-thiazol-4-yl]methyl (2S)-2-amino-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=CC=C(C=C2)CO[C@@H]3CCN(C3)C)N4CCN(CC4)C

DOS

IR

Vibrations