Geometry & MOs

Info

ID:

340157

PubChem CID:

127262166

Reduced:

N4O4C33H38 (1)

Stoich.:

A4B4C33D38 (1)

Weight, g/mol:

555.269299

ΔHf, kcal/mol:

-79.31

Dipole, Da:

5.13

IP(EA), eV:

 -9.05(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]hexanoic acid

Drug info:

PubChemData

Smile

C=CCN(CC1=CC=CC=C1)[C@@H](CC2=CC=CC=C2)C(=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=C(C=C4)O)N

DOS

IR

Vibrations