Geometry & MOs

Info

ID:	61500
PubChem CID:	26710008
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-131.81
Dipole, Da:	8.6
IP(EA), eV:	-9.35(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)C(=O)COC2=CC=C(C=C2)C#N

DOS

IR

Vibrations