Geometry & MOs

Info

ID:	70125
PubChem CID:	47207968
Reduced:	ClN2S2O3C12H15 (1)
Stoich.:	AB2C2D3E12F15 (1)
Weight, g/mol:	314.075885
ΔH_f, kcal/mol:	-56.84
Dipole, Da:	5.96
IP(EA), eV:	-9.37(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC(C)CC1=NC(=NO1)CS(=O)(=O)CC2=CC=C(S2)Cl

DOS

IR

Vibrations