Geometry & MOs

Info

ID:	61540
PubChem CID:	26710326
Reduced:	SN2O6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-207.34
Dipole, Da:	8.27
IP(EA), eV:	-8.66(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3OC

DOS

IR

Vibrations