Geometry & MOs

Info

ID:	50292
PubChem CID:	12012808
Reduced:	OSN2Br4H18C23 (1)
Stoich.:	ABC2D4E18F23 (1)
Weight, g/mol:	449.03232
ΔH_f, kcal/mol:	76.83
Dipole, Da:	11.99
IP(EA), eV:	-7.87(-3.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-bromo-1,5-diphenyl-2,3-dihydro-1H-[1,3]thiazino[3,2-a]quinazolin-11-ium-6-one

Drug info:

PubChemData

Smile

C1C(C([N+]2=C(S1)N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5)Br.[Br-].BrBr

DOS

IR

Vibrations