Geometry & MOs

Info

ID:	135470
PubChem CID:	51876513
Reduced:	ClSO3N6H19C22 (1)
Stoich.:	ABC3D6E19F22 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	52.47
Dipole, Da:	6.86
IP(EA), eV:	-8.9(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-1-(benzenesulfonyl)piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C2=NN=C(N2N)SCC(=O)N3[C@@H](CC(=N3)C4=CC=C(C=C4)Cl)C5=CC=CO5

DOS

IR

Vibrations