Geometry & MOs

Info

ID:	61517
PubChem CID:	26710136
Reduced:	ClSO3N4C19H19 (1)
Stoich.:	ABC3D4E19F19 (1)
Weight, g/mol:	460.166808
ΔH_f, kcal/mol:	-31.68
Dipole, Da:	5.06
IP(EA), eV:	-9.03(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=NN2CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations