Geometry & MOs

Info

ID:	49212
PubChem CID:	11528964
Reduced:	NaSN2O4C8H11 (1)
Stoich.:	ABC2D4E8F11 (1)
Weight, g/mol:	253.99424
ΔH_f, kcal/mol:	-186.6
Dipole, Da:	13.49
IP(EA), eV:	-7.74(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4S,5S,6S,8S,12R)-5-bromo-7-oxatetracyclo[6.4.0.02,6.04,12]dodec-9-en-11-one

Drug info:

PubChemData

Smile

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)[NH-].O.[Na+]

DOS

IR

Vibrations