Geometry & MOs

Info

ID:	142831
PubChem CID:	53098042
Reduced:	ClSN3O3C19H20 (1)
Stoich.:	ABC3D3E19F20 (1)
Weight, g/mol:	403.07574
ΔH_f, kcal/mol:	-42.89
Dipole, Da:	3.41
IP(EA), eV:	-9.46(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C2=NN=C(O2)C3=CC=CC(=C3)C

DOS

IR

Vibrations