Geometry & MOs

Info

ID:	396236
PubChem CID:	135027829
Reduced:	FOH7C8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	331.145344
ΔH_f, kcal/mol:	-125.8
Dipole, Da:	4.73
IP(EA), eV:	-9.6(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S,2S,5R)-4-oxo-3-oxa-10-azatricyclo[8.3.0.01,5]tridecan-2-yl]propyl methanesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C(C(CF)(C2=CC=CC=C2)O)F

DOS

IR

Vibrations