Geometry & MOs

Info

ID:

181187

PubChem CID:

76715700

Reduced:

FN2O5C35H37 (1)

Stoich.:

AB2C5D35E37 (1)

Weight, g/mol:

761.382872

ΔHf, kcal/mol:

-170.83

Dipole, Da:

6.66

IP(EA), eV:

 -8.99(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[(3-methylphenyl)methyl]-18-(7-methyl-2-phenylquinolin-4-yl)oxy-2,15-dioxo-N-phenoxy-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)CC4=CC(=CC=C4)F)OC5=NC=CC6=CC=CC=C65)C(=O)O

DOS

IR

Vibrations