Geometry & MOs

Info

ID:

334221

PubChem CID:

127252773

Reduced:

NO8C24H25 (1)

Stoich.:

AB8C24D25 (1)

Weight, g/mol:

605.273715

ΔHf, kcal/mol:

-257.61

Dipole, Da:

3.86

IP(EA), eV:

 -8.49(-0.82)

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-[6-oxo-6-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]hexyl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(CC(=O)OC)C2=C(C=CC3=C2O/C(=C\N4CCOCC4)/C3=O)O)O

DOS

IR

Vibrations