Geometry & MOs

Info

ID:	68012
PubChem CID:	46507602
Reduced:	N3O4C27H27 (1)
Stoich.:	A3B4C27D27 (1)
Weight, g/mol:	477.145534
ΔH_f, kcal/mol:	-105.97
Dipole, Da:	7.21
IP(EA), eV:	-8.57(-0.37)
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-(4-ethoxyphenyl)benzamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)NC4CC3(OC5=C4C=CC=C5OC)C

DOS

IR

Vibrations