Geometry & MOs

Info

ID:	13625
PubChem CID:	396304
Reduced:	OSN4H6C9 (1)
Stoich.:	ABC4D6E9 (1)
Weight, g/mol:	218.026232
ΔH_f, kcal/mol:	48.79
Dipole, Da:	2.4
IP(EA), eV:	-8.99(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N3C(=N2)SC(=N3)N

DOS

IR

Vibrations