Geometry & MOs

Info

ID:

340159

PubChem CID:

127262168

Reduced:

N3O3C14H19 (2)

Stoich.:

A3B3C14D19 (2)

Weight, g/mol:

535.1832

ΔHf, kcal/mol:

-242.47

Dipole, Da:

4.4

IP(EA), eV:

 -9.12(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)N)N(CCCCCC(=O)N)C(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations