Geometry & MOs

Info

ID:	139205
PubChem CID:	52491418
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	356.122835
ΔH_f, kcal/mol:	-33.51
Dipole, Da:	11.05
IP(EA), eV:	-9.19(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-[2-(4-methylphenyl)sulfanylacetyl]piperidin-3-yl]ethanesulfonamide

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C(=O)C2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=NC=C4)C

DOS

IR

Vibrations