Geometry & MOs

Info

ID:	203443
PubChem CID:	79831468
Reduced:	BrClNSH13C17 (1)
Stoich.:	ABCDE13F17 (1)
Weight, g/mol:	426.88642
ΔH_f, kcal/mol:	52.86
Dipole, Da:	2.89
IP(EA), eV:	-8.6(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-fluorophenyl)-4-(2-bromophenyl)-5-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)CC2=CC(=CC=C2)Cl)C3=CC=CC=C3Br

DOS

IR

Vibrations