Geometry & MOs

Info

ID:	50296
PubChem CID:	12012812
Reduced:	OSN2Br4H16C18 (1)
Stoich.:	ABC2D4E16F18 (1)
Weight, g/mol:	387.01667
ΔH_f, kcal/mol:	-11.14
Dipole, Da:	11.48
IP(EA), eV:	-8.62(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[N+]1=C2N(C(C(CS2)Br)C3=CC=CC=C3)C4=CC=CC=C4C1=O.[Br-].BrBr

DOS

IR

Vibrations