Geometry & MOs

Info

ID:	403283
PubChem CID:	135059544
Reduced:	SO5H12C14 (1)
Stoich.:	AB5C12D14 (1)
Weight, g/mol:	260.050715
ΔH_f, kcal/mol:	-153.59
Dipole, Da:	6.19
IP(EA), eV:	-9.04(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethylbenzo[c][1,2]benzoxathiine 6,6-dioxide

Drug info:

PubChemData

Smile

COC1=CC2=C(C3=CC=CC=C3S(=O)(=O)O2)C(=C1)OC

DOS

IR

Vibrations