Geometry & MOs

Info

ID:

181014

PubChem CID:

76715525

Reduced:

FN3O6C29H36 (1)

Stoich.:

AB3C6D29E36 (1)

Weight, g/mol:

670.340673

ΔHf, kcal/mol:

-259.63

Dipole, Da:

6.61

IP(EA), eV:

 -9.48(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(7-methyl-2-phenylquinolin-4-yl)oxy-2,15-dioxo-14-(2-phenylethyl)-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C12CC1C=CCCCCCC(C(=O)N3CC(CC3C(=O)C2)OC(=O)N4CC5=C(C4)C(=CC=C5)F)N

DOS

IR

Vibrations