Geometry & MOs

Info

ID:	414017
PubChem CID:	135086970
Reduced:	NO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	247.124215
ΔH_f, kcal/mol:	-93.93
Dipole, Da:	3.2
IP(EA), eV:	-9.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-6-tert-butylsulfonyl-4-methoxy-1-methyl-6-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CC(=O)O/N=C(/C1=CC=CC=C1)\C(=O)OC

DOS

IR

Vibrations