Geometry & MOs

Info

ID:

334870

PubChem CID:

127253676

Reduced:

ClN3O7C33H34 (1)

Stoich.:

AB3C7D33E34 (1)

Weight, g/mol:

441.189986

ΔHf, kcal/mol:

-222.63

Dipole, Da:

4.14

IP(EA), eV:

 -9.09(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-(3,4-dimethoxyphenyl)-3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]propanoate

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)/C(=C/NC2=CC=CC(=C2)C3N4CC5(CN3CC(C4)(C5=O)C)C)/C(=O)[C@]16C(=O)C7=C(O6)C(=C(C=C7OC)OC)Cl

DOS

IR

Vibrations