Geometry & MOs

Info

ID:	122830
PubChem CID:	50823334
Reduced:	ClS2N3O3H14C16 (1)
Stoich.:	AB2C3D3E14F16 (1)
Weight, g/mol:	450.058711
ΔH_f, kcal/mol:	15.14
Dipole, Da:	6.79
IP(EA), eV:	-9.57(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-cyclopropyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NO2)C3=CSC(=C3)S(=O)(=O)NCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations