Geometry & MOs

Info

ID:	142913
PubChem CID:	53113952
Reduced:	FSN3O3C20H20 (1)
Stoich.:	ABC3D3E20F20 (1)
Weight, g/mol:	407.162725
ΔH_f, kcal/mol:	-107.45
Dipole, Da:	7.0
IP(EA), eV:	-9.16(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2Z)-2-[4-(2-ethylpiperidin-1-yl)sulfonylpyrrol-2-ylidene]-3H-1,3,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=CN(C2=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

DOS

IR

Vibrations