Geometry & MOs

Info

ID:	61712
PubChem CID:	26712037
Reduced:	FS2N3O5C22H28 (1)
Stoich.:	AB2C3D5E22F28 (1)
Weight, g/mol:	464.143964
ΔH_f, kcal/mol:	-220.45
Dipole, Da:	7.43
IP(EA), eV:	-9.22(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S,6R)-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)CN(C)S(=O)(=O)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations