Geometry & MOs

Info

ID:	123080
PubChem CID:	50831999
Reduced:	BrSO3N5C17H18 (1)
Stoich.:	ABC3D5E17F18 (1)
Weight, g/mol:	484.189275
ΔH_f, kcal/mol:	3.39
Dipole, Da:	6.9
IP(EA), eV:	-9.19(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-4-[3-[[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CN(C=N2)CC3=NOC(=N3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations