Geometry & MOs

Info

ID:	335457
PubChem CID:	127254319
Reduced:	F3O3N5H12C13 (1)
Stoich.:	A3B3C5D12E13 (1)
Weight, g/mol:	432.95336
ΔH_f, kcal/mol:	-178.82
Dipole, Da:	9.83
IP(EA), eV:	-9.09(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-2-(2,2-dimethyloxan-4-yl)-1,3-thiazole;hydrobromide

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)N2CCN3C(=NN=C3C(F)(F)F)C2

DOS

IR

Vibrations