Geometry & MOs

Info

ID:

16955

PubChem CID:

481053

Reduced:

BN5O7C22H36 (1)

Stoich.:

AB5C7D22E36 (1)

Weight, g/mol:

493.270779

ΔHf, kcal/mol:

-389.97

Dipole, Da:

9.84

IP(EA), eV:

 -9.57(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R)-1-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-2-phenylethyl]boronic acid

Drug info:

PubChemData

Smile

B([C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)N)(O)O

DOS

IR

Vibrations