Geometry & MOs

Info

ID:	54806
PubChem CID:	17389314
Reduced:	BrFS2N3H19C23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	525.88231
ΔH_f, kcal/mol:	73.75
Dipole, Da:	3.84
IP(EA), eV:	-8.57(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-iodophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=N2)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F.Br

DOS

IR

Vibrations