Geometry & MOs

Info

ID:

121125

PubChem CID:

50756670

Reduced:

FO3N4H27C29 (1)

Stoich.:

AB3C4D27E29 (1)

Weight, g/mol:

439.166269

ΔHf, kcal/mol:

-50.08

Dipole, Da:

5.4

IP(EA), eV:

 -9.07(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(4-chlorophenyl)-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CC1(CN2C(=CC(=N2)C3=CC=CC=C3)C(=O)N1CC4=CC=CC=C4F)C(=O)NCC5=CC=CC=C5OC

DOS

IR

Vibrations