Geometry & MOs

Info

ID:

324883

PubChem CID:

126678540

Reduced:

FO5N6C26H39 (1)

Stoich.:

AB5C6D26E39 (1)

Weight, g/mol:

542.16524

ΔHf, kcal/mol:

-241.79

Dipole, Da:

4.54

IP(EA), eV:

 -9.26(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-bromo-N-[(2S)-1-[[(2S)-1-[[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations