Geometry & MOs

Info

ID:	142682
PubChem CID:	53075297
Reduced:	SN3O5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	475.05653
ΔH_f, kcal/mol:	-93.73
Dipole, Da:	11.67
IP(EA), eV:	-9.14(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-bromophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NOC(=N3)C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations