Geometry & MOs

Info

ID:	40405
PubChem CID:	8144060
Reduced:	ClO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	370.126361
ΔH_f, kcal/mol:	97.13
Dipole, Da:	13.58
IP(EA), eV:	-5.35(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)Cl)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations