Geometry & MOs

Info

ID:

175439

PubChem CID:

75906056

Reduced:

ClSO2N4C20H26 (1)

Stoich.:

ABC2D4E20F26 (1)

Weight, g/mol:

372.161997

ΔHf, kcal/mol:

-26.38

Dipole, Da:

3.56

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.014214

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1C[NH+](CCN(C1)C(=O)CC(C2=CC=CS2)NC(=O)N)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations