Geometry & MOs

Info

ID:	159621
PubChem CID:	57288544
Reduced:	ClSO2N3H18C22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	571.179333
ΔH_f, kcal/mol:	23.99
Dipole, Da:	5.91
IP(EA), eV:	-8.57(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[1-(dichloromethyl)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]ethyl]-5-phenyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CC(NCN(C1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations