Geometry & MOs

Info

ID:

88586

PubChem CID:

49955587

Reduced:

ClSN2O2C13H16 (1)

Stoich.:

ABC2D2E13F16 (1)

Weight, g/mol:

307.067187

ΔHf, kcal/mol:

-60.8

Dipole, Da:

4.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752670

Charge, e:

 -1

Chem-info

IUPAC name:

(4-piperazin-1-ylphenyl)-thiophen-2-ylmethanone;chloride

Drug info:

PubChemData

Smile

C1C(C(=O)N(C1=O)CC2=CC=CC=C2)SCCN.[Cl-]

DOS

IR

Vibrations