Geometry & MOs

Info

ID:	394064
PubChem CID:	135022271
Reduced:	ClN3O3H24C26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	524.336256
ΔH_f, kcal/mol:	17.03
Dipole, Da:	3.89
IP(EA), eV:	-8.34(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,9,23,26-tetraoxa-1,14,18,31-tetrazatricyclo[29.3.2.214,18]octatriaconta-3,11,20,28-tetrayne

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@H]([C@H](C2=O)OC/C(=N\NC3=CC=CC=C3)/Cl)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations