Geometry & MOs

Info

ID:	78578
PubChem CID:	49693676
Reduced:	O2S2N3C17H17 (1)
Stoich.:	A2B2C3D17E17 (1)
Weight, g/mol:	450.083176
ΔH_f, kcal/mol:	19.6
Dipole, Da:	5.64
IP(EA), eV:	-9.03(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)sulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCCCC(=O)NC2=NN=C(O2)CC3=CC=CS3

DOS

IR

Vibrations