Geometry & MOs

Info

ID:	30972
PubChem CID:	854019
Reduced:	ON2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	215.098
ΔH_f, kcal/mol:	-15.9
Dipole, Da:	2.09
IP(EA), eV:	-9.55(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,7R)-10,10-dimethyl-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide

Drug info:

PubChemData

Smile

CN1[C@@H](CCC1=O)C2=CN=CC=C2

DOS

IR

Vibrations