Geometry & MOs

Info

ID:	305787
PubChem CID:	124969181
Reduced:	SF2O3N5H17C18 (1)
Stoich.:	AB2C3D5E17F18 (1)
Weight, g/mol:	421.102017
ΔH_f, kcal/mol:	-92.73
Dipole, Da:	6.67
IP(EA), eV:	-9.74(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C2=NN=C(O2)[C@@H]3CCCCN3S(=O)(=O)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations