Geometry & MOs

Info

ID:

334725

PubChem CID:

127253400

Reduced:

N5O5C33H33 (1)

Stoich.:

A5B5C33D33 (1)

Weight, g/mol:

457.1849

ΔHf, kcal/mol:

-48.65

Dipole, Da:

9.47

IP(EA), eV:

 -8.21(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C2CCCC3NC(=O)[C@@H]4CC5=C(C=CC(=C5)[N+](=O)[O-])N6[C@H]4C7CC(C6)C8=CC=CC(=O)N8C7

DOS

IR

Vibrations