Geometry & MOs

Info

ID:	141538
PubChem CID:	52892261
Reduced:	SN2O4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	464.04391
ΔH_f, kcal/mol:	-138.58
Dipole, Da:	8.35
IP(EA), eV:	-8.77(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1-ethylpiperidin-3-yl] 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCN1CCC[C@H](C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations