Geometry & MOs

Info

ID:	50298
PubChem CID:	12012814
Reduced:	OSN2I6H16C18 (1)
Stoich.:	ABC2D6E16F18 (1)
Weight, g/mol:	435.00281
ΔH_f, kcal/mol:	1.61
Dipole, Da:	11.19
IP(EA), eV:	-8.1(-2.99)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-iodo-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)I)C3=CC=CC=C3)C4=CC=CC=C4C1=O.[I-].II.II

DOS

IR

Vibrations