Geometry & MOs

Info

ID:	64811
PubChem CID:	29204033
Reduced:	FSN2O5H19C20 (1)
Stoich.:	ABC2D5E19F20 (1)
Weight, g/mol:	484.089342
ΔH_f, kcal/mol:	-139.78
Dipole, Da:	8.54
IP(EA), eV:	-9.75(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-methylsulfonylphenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)N(CC3=CC=CO3)[C@H]4CCS(=O)(=O)C4)F

DOS

IR

Vibrations