Geometry & MOs

Info

ID:	61505
PubChem CID:	26710045
Reduced:	SCl2N2O5C20H26 (1)
Stoich.:	AB2C2D5E20F26 (1)
Weight, g/mol:	430.156243
ΔH_f, kcal/mol:	-215.39
Dipole, Da:	7.35
IP(EA), eV:	-9.31(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations