Geometry & MOs

Info

ID:	50281
PubChem CID:	12012797
Reduced:	IOSN2H14C17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	551.73629
ΔH_f, kcal/mol:	66.09
Dipole, Da:	7.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752338
Charge, e:	0

Chem-info

IUPAC name:

1-(bromomethyl)-4-methyl-1,2-dihydro-[1,3]thiazolo[3,2-a]quinazolin-4-ium-5-one;molecular bromine;bromide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations