Geometry & MOs

Info

ID:	127886
PubChem CID:	51021384
Reduced:	NaSSiN2O2C18H27 (1)
Stoich.:	ABCD2E2F18G27 (1)
Weight, g/mol:	139.099714
ΔH_f, kcal/mol:	-127.8
Dipole, Da:	2.3
IP(EA), eV:	-7.33(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R,7R,9R)-8-oxa-10-azatricyclo[4.3.1.07,9]decane

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