Geometry & MOs

Info

ID:	123079
PubChem CID:	50831998
Reduced:	SO3N5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	451.03137
ΔH_f, kcal/mol:	-5.44
Dipole, Da:	8.32
IP(EA), eV:	-8.99(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromophenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NO2)CN3C=C(N=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations