Geometry & MOs

Info

ID:	142826
PubChem CID:	53097629
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	387.105291
ΔH_f, kcal/mol:	-53.5
Dipole, Da:	5.07
IP(EA), eV:	-9.46(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C1=C2N=CC3=C(N2N=C1)CC(CC3=O)(C)C

DOS

IR

Vibrations