Geometry & MOs

Info

ID:	21547
PubChem CID:	588887
Reduced:	NS2Cl3C6H6 (1)
Stoich.:	AB2C3D6E6 (1)
Weight, g/mol:	260.900725
ΔH_f, kcal/mol:	2.73
Dipole, Da:	2.12
IP(EA), eV:	-9.12(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazole-2-thiol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)S)CC(Cl)(Cl)Cl

DOS

IR

Vibrations