Geometry & MOs

Info

ID:	50276
PubChem CID:	12012792
Reduced:	OSN2Br4H14C17 (1)
Stoich.:	ABC2D4E14F17 (1)
Weight, g/mol:	373.00102
ΔH_f, kcal/mol:	-6.63
Dipole, Da:	3.5
IP(EA), eV:	-9.09(-2.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(bromomethyl)-4-phenyl-1,2-dihydro-[1,3]thiazolo[3,2-a]quinazolin-10-ium-5-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations