Geometry & MOs

Info

ID:	206881
PubChem CID:	80318322
Reduced:	ClSO2N3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	287.03433
ΔH_f, kcal/mol:	-42.01
Dipole, Da:	4.98
IP(EA), eV:	-9.33(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromocyclohexyl)methyl]-4,5-dimethyl-1,3-thiazole

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)NC2=C(C=CC(=C2)C#N)Cl

DOS

IR

Vibrations