Geometry & MOs

Info

ID:

307212

PubChem CID:

125292403

Reduced:

ClFN3O3H23C29 (1)

Stoich.:

ABC3D3E23F29 (1)

Weight, g/mol:

479.220892

ΔHf, kcal/mol:

-54.09

Dipole, Da:

9.08

IP(EA), eV:

 -7.13(-2.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,8R)-2-(2-ethoxyphenyl)-6-(2-phenylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-10,12,14,16-tetraene-4,7-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1NC(=O)[C@]23[C@@]4([C@H]([C@@H]5N3CCC5)C(=O)C6=CC=C(C=C6)F)C7=CC=CC=C7NC4=O)Cl

DOS

IR

Vibrations