Geometry & MOs

Info

ID:

40130

PubChem CID:

8143612

Reduced:

SN5C12H18 (1)

Stoich.:

AB5C12D18 (1)

Weight, g/mol:

296.062436

ΔHf, kcal/mol:

91.0

Dipole, Da:

7.91

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.811834

Charge, e:

 1

Chem-info

IUPAC name:

5-(4-chlorophenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NN(C(=S)N12)C[NH+]3CCCC3)C

DOS

IR

Vibrations