Geometry & MOs

Info

ID:	27733
PubChem CID:	823320
Reduced:	OSN4C10H12 (1)
Stoich.:	ABC4D10E12 (1)
Weight, g/mol:	280.041882
ΔH_f, kcal/mol:	52.19
Dipole, Da:	6.48
IP(EA), eV:	-8.4(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,1,3-benzothiadiazol-5-yl)quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NNC(=S)N2N

DOS

IR

Vibrations