Geometry & MOs

Info

ID:

16451

PubChem CID:

469482

Reduced:

ClN5O6C28H56 (1)

Stoich.:

AB5C6D28E56 (1)

Weight, g/mol:

593.391912

ΔHf, kcal/mol:

-378.07

Dipole, Da:

6.64

IP(EA), eV:

 -8.95(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-6-amino-2-[[(2S)-3-hydroxy-2-[11-(methylamino)undecanoylamino]propanoyl]amino]hexanoyl]amino]-4-methylpentanoate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCNC.Cl

DOS

IR

Vibrations