Geometry & MOs

Info

ID:	268865
PubChem CID:	103601296
Reduced:	ISN2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	440.86838
ΔH_f, kcal/mol:	57.51
Dipole, Da:	3.98
IP(EA), eV:	-8.63(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-4-(4-iodophenyl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC(C)CNC1=NC(=CS1)C2=CC=C(C=C2)I

DOS

IR

Vibrations