Geometry & MOs

Info

ID:	68021
PubChem CID:	46507616
Reduced:	N3O3H23C25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	447.134969
ΔH_f, kcal/mol:	-66.47
Dipole, Da:	4.82
IP(EA), eV:	-8.75(-0.42)
Spin(S_z, 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-(3-methylphenyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)NC4CC3(OC5=CC=CC=C45)C

DOS

IR

Vibrations