Geometry & MOs

Info

ID:	43294
PubChem CID:	10320832
Reduced:	SO7C22H28 (1)
Stoich.:	AB7C22D28 (1)
Weight, g/mol:	436.14905
ΔH_f, kcal/mol:	-264.53
Dipole, Da:	7.44
IP(EA), eV:	-9.38(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,7S)-7-(benzenesulfonyl)-2-cyclohexyl-4,6-dimethyl-1-methylsulfanyl-2,6-diazabicyclo[2.2.2]octane-3,5-dione

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@@H]([C@H](O[C@@H]1OC)COS(=O)(=O)C2=CC=C(C=C2)C)O)OCC3=CC=CC=C3

DOS

IR

Vibrations