Geometry & MOs

Info

ID:	70112
PubChem CID:	47207826
Reduced:	S2N3O3C10H13 (1)
Stoich.:	A2B3C3D10E13 (1)
Weight, g/mol:	313.055484
ΔH_f, kcal/mol:	-45.47
Dipole, Da:	6.28
IP(EA), eV:	-9.58(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CS(=O)(=O)CC2=NC(=NO2)C

DOS

IR

Vibrations