Geometry & MOs

Info

ID:	68013
PubChem CID:	46507603
Reduced:	ClN3O4H24C26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	505.140449
ΔH_f, kcal/mol:	-113.94
Dipole, Da:	5.54
IP(EA), eV:	-8.19(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[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)benzoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)NC4CC3(OC5=C4C=C(C=C5)Cl)C

DOS

IR

Vibrations