Geometry & MOs

Info

ID:	141537
PubChem CID:	52892260
Reduced:	SN2O4C23H31 (1)
Stoich.:	AB2C4D23E31 (1)
Weight, g/mol:	430.192629
ΔH_f, kcal/mol:	-125.15
Dipole, Da:	5.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.834289
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-1-ethylpiperidin-3-yl] 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC[NH+]1CCC[C@H](C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations