Geometry & MOs

Info

ID:	417413
PubChem CID:	135093502
Reduced:	OSN5C15H25 (1)
Stoich.:	ABC5D15E25 (1)
Weight, g/mol:	378.107185
ΔH_f, kcal/mol:	-20.33
Dipole, Da:	4.22
IP(EA), eV:	-8.6(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[5-(methylsulfonylmethyl)pyridin-2-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC(=NC(=C3)N)SC)CO

DOS

IR

Vibrations