Geometry & MOs

Info

ID:

50293

PubChem CID:

12012809

Reduced:

BrOSN2H18C23 (1)

Stoich.:

ABCD2E18F23 (1)

Weight, g/mol:

1131.5408

ΔHf, kcal/mol:

55.46

Dipole, Da:

3.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.783816

Charge, e:

 0

Chem-info

IUPAC name:

2-iodo-1,5-diphenyl-2,3-dihydro-1H-[1,3]thiazino[3,2-a]quinazolin-11-ium-6-one;molecular iodine;iodide

Drug info:

PubChemData

Smile

C1C(C([N+]2=C(S1)N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5)Br

DOS

IR

Vibrations