Geometry & MOs

Info

ID:	297823
PubChem CID:	117633138
Reduced:	O2F3C11H11 (1)
Stoich.:	A2B3C11D11 (1)
Weight, g/mol:	287.119129
ΔH_f, kcal/mol:	-221.75
Dipole, Da:	6.77
IP(EA), eV:	-9.59(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-(2-sulfanyloxyethyl)-3-oxa-8-azatricyclo[3.2.1.02,4]octane-8-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)C1=CC(=CC(=C1)OC)C(F)(F)F

DOS

IR

Vibrations