Geometry & MOs

Info

ID:

40994

PubChem CID:

8145090

Reduced:

S2N3O3C15H20 (1)

Stoich.:

A2B3C3D15E20 (1)

Weight, g/mol:

353.086784

ΔHf, kcal/mol:

-45.17

Dipole, Da:

7.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.998778

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-[(2-sulfanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC=CS3

DOS

IR

Vibrations