Geometry & MOs

Info

ID:	155213
PubChem CID:	56322666
Reduced:	SN3O5C25H27 (1)
Stoich.:	AB3C5D25E27 (1)
Weight, g/mol:	451.190734
ΔH_f, kcal/mol:	-146.66
Dipole, Da:	6.13
IP(EA), eV:	-9.42(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCCCNC(=O)C2=CC(=CC=C2)O)S(=O)(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations