Geometry & MOs

Info

ID:

124839

PubChem CID:

50898374

Reduced:

BO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

570.276198

ΔHf, kcal/mol:

-187.85

Dipole, Da:

5.03

IP(EA), eV:

 -8.32(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R)-1-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-(pyrazine-2-carbonylamino)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid

Drug info:

PubChemData

Smile

B1(O[C@H]2C[C@@H]3C[C@H]([C@]2(O1)C)C3(C)C)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)C7=NC=CN=C7

DOS

IR

Vibrations