Geometry & MOs

Info

ID:	50282
PubChem CID:	12012798
Reduced:	OSN2Br4C12H12 (1)
Stoich.:	ABC2D4E12F12 (1)
Weight, g/mol:	310.98537
ΔH_f, kcal/mol:	-64.75
Dipole, Da:	5.15
IP(EA), eV:	-9.45(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations