Geometry & MOs

Info

ID:

68014

PubChem CID:

46507604

Reduced:

ClN3O5H24C27 (1)

Stoich.:

AB3C5D24E27 (1)

Weight, g/mol:

475.166269

ΔHf, kcal/mol:

-160.55

Dipole, Da:

6.9

IP(EA), eV:

 -9.17(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-chloro-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-N-(4-propan-2-ylphenyl)benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)NC4CC3(OC5=C4C=C(C=C5)Cl)C

DOS

IR

Vibrations