Geometry & MOs

Info

ID:	391886
PubChem CID:	135010588
Reduced:	SO5C19H28 (1)
Stoich.:	AB5C19D28 (1)
Weight, g/mol:	226.058971
ΔH_f, kcal/mol:	-220.83
Dipole, Da:	5.65
IP(EA), eV:	-10.26(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R)-10,11-dihydroxy-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione

Drug info:

PubChemData

Smile

CCCC[C@@H]1C[C@H](CC[C@@H]([C@H]1O)C(=O)OC)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations