Geometry & MOs

Info

ID:

324880

PubChem CID:

126678534

Reduced:

NO2C6H9 (2)

Stoich.:

AB2C6D9 (2)

Weight, g/mol:

570.19654

ΔHf, kcal/mol:

-167.55

Dipole, Da:

2.94

IP(EA), eV:

 -9.83(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[[(2S)-1-[[(3S)-6-[[amino(ethylamino)methylidene]amino]-1-fluoro-2-oxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)N=C=O

DOS

IR

Vibrations