Geometry & MOs

Info

ID:	237602
PubChem CID:	92719933
Reduced:	SN2O2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	415.180839
ΔH_f, kcal/mol:	-51.73
Dipole, Da:	0.86
IP(EA), eV:	-9.18(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(S)-(4-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C[C@]1(CCC(=O)N1CCC2=CC=CS2)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations