Geometry & MOs

Info

ID:

319069

PubChem CID:

126654438

Reduced:

O4C17H18 (1)

Stoich.:

A4B17C18 (1)

Weight, g/mol:

698.313806

ΔHf, kcal/mol:

-49.09

Dipole, Da:

5.33

IP(EA), eV:

 -8.85(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[6-(4-propan-2-ylphenoxy)hexa-2,4-diynoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OCC#CC#CCOCC(=O)O

DOS

IR

Vibrations