Geometry & MOs

Info

ID:

173707

PubChem CID:

75671975

Reduced:

ClSN2O3C20H22 (1)

Stoich.:

ABC2D3E20F22 (1)

Weight, g/mol:

468.092199

ΔHf, kcal/mol:

-70.29

Dipole, Da:

3.09

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.092208

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)[N-]C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations