Geometry & MOs

Info

ID:	68924
PubChem CID:	46512160
Reduced:	SCl2N2O5C20H20 (1)
Stoich.:	AB2C2D5E20F20 (1)
Weight, g/mol:	464.117271
ΔH_f, kcal/mol:	-180.66
Dipole, Da:	5.9
IP(EA), eV:	-8.98(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations