Geometry & MOs

Info

ID:	163479
PubChem CID:	58002084
Reduced:	SN2O4C26H36 (1)
Stoich.:	AB2C4D26E36 (1)
Weight, g/mol:	520.173368
ΔH_f, kcal/mol:	-156.94
Dipole, Da:	5.0
IP(EA), eV:	-9.36(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CCC(CC1)CN(CC=C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations