Geometry & MOs

Info

ID:	70020
PubChem CID:	47206834
Reduced:	SO3N5C11H21 (1)
Stoich.:	AB3C5D11E21 (1)
Weight, g/mol:	295.070071
ΔH_f, kcal/mol:	-94.92
Dipole, Da:	1.5
IP(EA), eV:	-10.31(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methylsulfonylmethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole

Drug info:

PubChemData

Smile

CCCN1C(=NN=N1)CS(=O)(=O)CC(=O)NC(C)(C)C

DOS

IR

Vibrations