Geometry & MOs

Info

ID:	335100
PubChem CID:	127253906
Reduced:	ClN3O6C26H26 (1)
Stoich.:	AB3C6D26E26 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	-160.07
Dipole, Da:	6.6
IP(EA), eV:	-8.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-11-oxo-10-[2-(4-oxoquinazolin-3-yl)ethyl]-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCN4C5=CC=CC=C5N=C4CO

DOS

IR

Vibrations