Geometry & MOs

Info

ID:	133051
PubChem CID:	51468178
Reduced:	ClO3N5H14C17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	429.172228
ΔH_f, kcal/mol:	-3.23
Dipole, Da:	6.29
IP(EA), eV:	-9.01(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-phenyloxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)Cl)OC(=O)C2=CC(=CC=C2)N3C=NN=N3

DOS

IR

Vibrations