Geometry & MOs

Info

ID:	127748
PubChem CID:	51013611
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	307.124215
ΔH_f, kcal/mol:	-128.83
Dipole, Da:	5.4
IP(EA), eV:	-9.64(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,3R,5S,6S)-3-hydroxy-6-phenylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1C[C@@H]2C(=C[C@H]1C(=O)[C@]23CO3)C

DOS

IR

Vibrations