Geometry & MOs

Info

ID:	123147
PubChem CID:	50835085
Reduced:	N2S3O4C19H22 (1)
Stoich.:	A2B3C4D19E22 (1)
Weight, g/mol:	334.142976
ΔH_f, kcal/mol:	-95.64
Dipole, Da:	5.38
IP(EA), eV:	-8.53(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C2=NC(=CS2)C(C)C)S(=O)(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations