Geometry & MOs

Info

ID:

315569

PubChem CID:

126627745

Reduced:

ClO3N8C30H31 (1)

Stoich.:

AB3C8D30E31 (1)

Weight, g/mol:

578.189946

ΔHf, kcal/mol:

25.29

Dipole, Da:

10.41

IP(EA), eV:

 -9.44(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9R,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3-(trideuteriomethyl)-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one

Drug info:

PubChemData

Smile

C[C@@H]1CCCC(C2=NC=CC(=C2)C3=C(C=NN3CCO)NC1=O)N4CCC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=CN=N6

DOS

IR

Vibrations