Geometry & MOs

Info

ID:	61501
PubChem CID:	26710010
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-179.85
Dipole, Da:	2.93
IP(EA), eV:	-8.49(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)C

DOS

IR

Vibrations