Geometry & MOs

Info

ID:

40402

PubChem CID:

8144054

Reduced:

ClOSN4C19H20 (1)

Stoich.:

ABCD4E19F20 (1)

Weight, g/mol:

386.09681

ΔHf, kcal/mol:

79.24

Dipole, Da:

5.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.806385

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations