Geometry & MOs

Info

ID:

340147

PubChem CID:

127262156

Reduced:

O5N6C34H38 (1)

Stoich.:

A5B6C34D38 (1)

Weight, g/mol:

610.290368

ΔHf, kcal/mol:

-132.7

Dipole, Da:

4.57

IP(EA), eV:

 -8.53(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CNC[C@@H]1C(=O)N([C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N)C(=O)[C@H](CC5=CC=C(C=C5)O)N

DOS

IR

Vibrations