Geometry & MOs

Info

ID:	232867
PubChem CID:	87577310
Reduced:	SN2O5F7C21H21 (1)
Stoich.:	AB2C5D7E21F21 (1)
Weight, g/mol:	397.161326
ΔH_f, kcal/mol:	-533.94
Dipole, Da:	5.82
IP(EA), eV:	-9.47(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-1-carbaldehyde

Drug info:

PubChemData

Smile

C1CN(CC1(F)F)C2=CC(=C(C=C2)S(=O)(=O)C3CC(C(C3)C(=O)O)C(=O)N4CC(C4)(F)F)C(F)(F)F

DOS

IR

Vibrations