Geometry & MOs

Info

ID:

334071

PubChem CID:

127252623

Reduced:

ClN2O6H23C26 (1)

Stoich.:

AB2C6D23E26 (1)

Weight, g/mol:

481.221286

ΔHf, kcal/mol:

-165.1

Dipole, Da:

7.0

IP(EA), eV:

 -8.51(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]-3-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]propanoate

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)/C(=C/NC2=C3C=CN(C3=CC=C2)C)/C(=O)[C@]14C(=O)C5=C(O4)C(=C(C=C5OC)OC)Cl

DOS

IR

Vibrations