Geometry & MOs

Info

ID:

335097

PubChem CID:

127253903

Reduced:

ClN2O9H35C37 (1)

Stoich.:

AB2C9D35E37 (1)

Weight, g/mol:

507.146407

ΔHf, kcal/mol:

-288.48

Dipole, Da:

4.37

IP(EA), eV:

 -8.59(-0.94)

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-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)C(=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)O)C(CC(=O)NCCC4=CC=C(C=C4)OC)C5=CC6=CC=CC=C6NC5=O

DOS

IR

Vibrations