Geometry & MOs

Info

ID:	50288
PubChem CID:	12012804
Reduced:	OSN2Br4H10C12 (1)
Stoich.:	ABC2D4E10F12 (1)
Weight, g/mol:	308.96972
ΔH_f, kcal/mol:	-14.54
Dipole, Da:	14.75
IP(EA), eV:	-8.81(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1E)-1-(bromomethylidene)-4-methyl-[1,3]thiazolo[3,2-a]quinazolin-4-ium-5-one

Drug info:

PubChemData

Smile

C[N+]1=C2N(/C(=C/Br)/CS2)C3=CC=CC=C3C1=O.[Br-].BrBr

DOS

IR

Vibrations