Geometry & MOs

Info

ID:	322577
PubChem CID:	126670559
Reduced:	FNO3C10H18 (1)
Stoich.:	ABC3D10E18 (1)
Weight, g/mol:	319.141973
ΔH_f, kcal/mol:	-190.5
Dipole, Da:	3.07
IP(EA), eV:	-9.74(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-benzyl 2-O-butyl (2S,5R)-6-oxa-3-azabicyclo[3.1.0]hexane-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)[C@@H]1[C@@H]([C@H](CN1)F)OC

DOS

IR

Vibrations