Geometry & MOs

Info

ID:	142488
PubChem CID:	53042796
Reduced:	ClS2N3O5C18H18 (1)
Stoich.:	AB2C3D5E18F18 (1)
Weight, g/mol:	502.134462
ΔH_f, kcal/mol:	-76.27
Dipole, Da:	4.36
IP(EA), eV:	-8.93(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Cl)NS(=O)(=O)C2=CC(=CS2)C3=NOC(=N3)C4CCC4)OC

DOS

IR

Vibrations