Geometry & MOs

Info

ID:	145486
PubChem CID:	53534749
Reduced:	O2F3N3C18H18 (1)
Stoich.:	A2B3C3D18E18 (1)
Weight, g/mol:	434.235162
ΔH_f, kcal/mol:	-202.98
Dipole, Da:	3.39
IP(EA), eV:	-9.1(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CC(C1)(CNC(=O)NC2=CC(=CNC2=O)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations