Geometry & MOs

Info

ID:	60979
PubChem CID:	26703824
Reduced:	SN2Cl3O4H15C19 (1)
Stoich.:	AB2C3D4E15F19 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	-101.36
Dipole, Da:	7.9
IP(EA), eV:	-9.34(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxyphenyl) 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)OC2=CC(=C(C=C2Cl)Cl)Cl)S(=O)(=O)C3=CC=CC=C3C#N

DOS

IR

Vibrations