Geometry & MOs

Info

ID:	50286
PubChem CID:	12012802
Reduced:	OSN2I4H12C17 (1)
Stoich.:	ABC2D4E12F17 (1)
Weight, g/mol:	418.97151
ΔH_f, kcal/mol:	70.64
Dipole, Da:	8.62
IP(EA), eV:	-8.04(-4.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1/C(=C\I)/[N+]2=C(S1)N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4.[I-].II

DOS

IR

Vibrations