Geometry & MOs

Info

ID:	127884
PubChem CID:	51021382
Reduced:	NSO6C13H17 (1)
Stoich.:	ABC6D13E17 (1)
Weight, g/mol:	386.14602
ΔH_f, kcal/mol:	-228.04
Dipole, Da:	6.82
IP(EA), eV:	-9.64(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(4-methylphenyl)sulfonyl-[(E)-[(1S,4R,6R)-6-trimethylsilyl-2-bicyclo[2.2.2]octanylidene]amino]azanide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@@H]([C@H]([C@@H]3CO[C@H]2O3)N)O

DOS

IR

Vibrations