Geometry & MOs

Info

ID:	392660
PubChem CID:	135017548
Reduced:	OS2N4H10C16 (1)
Stoich.:	AB2C4D10E16 (1)
Weight, g/mol:	390.053509
ΔH_f, kcal/mol:	84.43
Dipole, Da:	7.89
IP(EA), eV:	-9.05(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(S2)N3C(=O)C4=CC=CC=C4NC3=S

DOS

IR

Vibrations