Geometry & MOs

Info

ID:

340158

PubChem CID:

127262167

Reduced:

N5O7C28H37 (1)

Stoich.:

A5B7C28D37 (1)

Weight, g/mol:

554.285283

ΔHf, kcal/mol:

-283.19

Dipole, Da:

5.16

IP(EA), eV:

 -9.19(-0.2)

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]hexanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations