Geometry & MOs

Info

ID:	123355
PubChem CID:	50844062
Reduced:	SO2N6C25H34 (1)
Stoich.:	AB2C6D25E34 (1)
Weight, g/mol:	358.098728
ΔH_f, kcal/mol:	-8.18
Dipole, Da:	9.2
IP(EA), eV:	-8.69(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxy-2-methylphenyl)-3-[(4-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(C=C2)N3C(=C(C(=N3)C)S(=O)(=O)NCCCN4CCCCC4)C)C

DOS

IR

Vibrations