Geometry & MOs

Info

ID:	139559
PubChem CID:	52557608
Reduced:	ClSN3O3C20H20 (1)
Stoich.:	ABC3D3E20F20 (1)
Weight, g/mol:	397.076409
ΔH_f, kcal/mol:	-68.98
Dipole, Da:	8.11
IP(EA), eV:	-9.36(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-ethyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=CC(=C(C=C3)Cl)C#N

DOS

IR

Vibrations