Geometry & MOs

Info

ID:	30715
PubChem CID:	841759
Reduced:	SO2N4C9H14 (1)
Stoich.:	AB2C4D9E14 (1)
Weight, g/mol:	283.141973
ΔH_f, kcal/mol:	-39.2
Dipole, Da:	4.09
IP(EA), eV:	-8.7(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,4S)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)C2=NC=CC=N2

DOS

IR

Vibrations