Geometry & MOs

Info

ID:

50291

PubChem CID:

12012807

Reduced:

IOSN2H10C12 (1)

Stoich.:

ABCD2E10F12 (1)

Weight, g/mol:

689.78324

ΔHf, kcal/mol:

25.0

Dipole, Da:

2.94

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.783556

Charge, e:

 0

Chem-info

IUPAC name:

2-bromo-1,5-diphenyl-2,3-dihydro-1H-[1,3]thiazino[3,2-a]quinazolin-11-ium-6-one;molecular bromine;bromide

Drug info:

PubChemData

Smile

C[N+]1=C2N(/C(=C/I)/CS2)C3=CC=CC=C3C1=O

DOS

IR

Vibrations