Geometry & MOs

Info

ID:	308250
PubChem CID:	125324615
Reduced:	NO5H23C26 (1)
Stoich.:	AB5C23D26 (1)
Weight, g/mol:	403.128729
ΔH_f, kcal/mol:	-133.72
Dipole, Da:	6.68
IP(EA), eV:	-9.62(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(4-fluoro-3-methylphenyl)sulfonylthiolane 1,1-dioxide

Drug info:

PubChemData

Smile

C1CCC2(CC1)CC(=O)C3=C(O2)C4=C(C=C3)OC(=O)C[C@H]4[C@@H]5C=C6C=CC=CC6=NC5=O

DOS

IR

Vibrations