Geometry & MOs

Info

ID:	26437
PubChem CID:	647751
Reduced:	OSN7C22H27 (1)
Stoich.:	ABC7D22E27 (1)
Weight, g/mol:	402.124943
ΔH_f, kcal/mol:	103.9
Dipole, Da:	6.57
IP(EA), eV:	-8.36(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-1-benzylsulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC(C1=NN=NN1CC2=CC=CO2)N3CCN(CC3)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations