Geometry & MOs

Info

ID:	399801
PubChem CID:	135042796
Reduced:	BO4C5H9 (1)
Stoich.:	AB4C5D9 (1)
Weight, g/mol:	242.053886
ΔH_f, kcal/mol:	-113.88
Dipole, Da:	3.85
IP(EA), eV:	-8.14(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R)-8,10,11-trihydroxy-12-oxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione

Drug info:

PubChemData

Smile

[B][C@H]1C[C@H]([C@H](O1)C(O)O)O

DOS

IR

Vibrations