Geometry & MOs

Info

ID:

334113

PubChem CID:

127252665

Reduced:

N3O7C26H27 (1)

Stoich.:

A3B7C26D27 (1)

Weight, g/mol:

469.1849

ΔHf, kcal/mol:

-216.06

Dipole, Da:

3.75

IP(EA), eV:

 -8.69(-0.79)

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-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanoate

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(CC(=O)OC)C3=C(C=CC4=C3O/C(=C\N5CCOCC5)/C4=O)O)N(C1=O)C

DOS

IR

Vibrations