Geometry & MOs

Info

ID:	392662
PubChem CID:	135017550
Reduced:	OS2N3H11C17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	419.061431
ΔH_f, kcal/mol:	66.87
Dipole, Da:	5.69
IP(EA), eV:	-8.56(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-[1,3,5]triazino[1,2-a]quinazoline-1,3,6-trione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C4=CC=CC=C4NC3=S

DOS

IR

Vibrations