Geometry & MOs

Info

ID:

334463

PubChem CID:

127253015

Reduced:

ClN5O6C26H26 (1)

Stoich.:

AB5C6D26E26 (1)

Weight, g/mol:

489.156971

ΔHf, kcal/mol:

-44.27

Dipole, Da:

16.12

IP(EA), eV:

 -7.46(-2.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=C/C(=C\5/NN(N=N5)C(C)C)/C=CC4=O

DOS

IR

Vibrations