Geometry & MOs

Info

ID:	61713
PubChem CID:	26712039
Reduced:	N2S2O5C22H28 (1)
Stoich.:	A2B2C5D22E28 (1)
Weight, g/mol:	464.143964
ΔH_f, kcal/mol:	-190.74
Dipole, Da:	5.94
IP(EA), eV:	-9.3(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-2-methyl-5-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C)C

DOS

IR

Vibrations