Geometry & MOs

Info

ID:	61960
PubChem CID:	26716327
Reduced:	SN2O4H22C25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	421.239913
ΔH_f, kcal/mol:	-65.34
Dipole, Da:	7.45
IP(EA), eV:	-9.22(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ylpropyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)OC2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations