Geometry & MOs

Info

ID:	50284
PubChem CID:	12012800
Reduced:	OSN2I6C12H12 (1)
Stoich.:	ABC2D6E12F12 (1)
Weight, g/mol:	358.97151
ΔH_f, kcal/mol:	53.17
Dipole, Da:	16.07
IP(EA), eV:	-6.96(-4.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(iodomethyl)-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)CI)C3=CC=CC=C3C1=O.[I-].II.II

DOS

IR

Vibrations