Geometry & MOs

Info

ID:

121126

PubChem CID:

50756743

Reduced:

ClN3O3C24H26 (1)

Stoich.:

AB3C3D24E26 (1)

Weight, g/mol:

453.181919

ΔHf, kcal/mol:

-65.92

Dipole, Da:

2.94

IP(EA), eV:

 -9.03(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[(2-chlorophenyl)methyl]-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

CC1CCCCC1NC(=O)C2(CN3C4=C(C=C3C(=O)N2C5=CC=C(C=C5)Cl)OC=C4)C

DOS

IR

Vibrations