Geometry & MOs

Info

ID:	336015
PubChem CID:	127255022
Reduced:	ClN3O5H14C23 (1)
Stoich.:	AB3C5D14E23 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-100.65
Dipole, Da:	9.85
IP(EA), eV:	-8.73(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[2-(2-methoxyphenoxy)ethyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(C(=O)O2)C3=C(N=C4N3C=C(C=C4)Cl)C5=CC(=C(C=C5)O)C(=O)N)O

DOS

IR

Vibrations