Geometry & MOs

Info

ID:	127885
PubChem CID:	51021383
Reduced:	NaSSiN2O2C18H27 (1)
Stoich.:	ABCD2E2F18G27 (1)
Weight, g/mol:	386.14602
ΔH_f, kcal/mol:	-123.52
Dipole, Da:	5.44
IP(EA), eV:	-7.39(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[N-]/N=C/2\C[C@H]3CC[C@@H]2[C@@H](C3)[Si](C)(C)C.[Na+]

DOS

IR

Vibrations