Geometry & MOs

Info

ID:	50280
PubChem CID:	12012796
Reduced:	OSN2I6H14C17 (1)
Stoich.:	ABC2D6E14F17 (1)
Weight, g/mol:	420.98716
ΔH_f, kcal/mol:	57.66
Dipole, Da:	8.33
IP(EA), eV:	-8.63(-2.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(iodomethyl)-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)CI.[I-].II.II

DOS

IR

Vibrations