Geometry & MOs

Info

ID:	411297
PubChem CID:	135084110
Reduced:	OC13H22 (1)
Stoich.:	AB13C22 (1)
Weight, g/mol:	213.009579
ΔH_f, kcal/mol:	-36.54
Dipole, Da:	2.03
IP(EA), eV:	-8.75(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-1,2lambda6,3-benzoxathiazine 2,2-dioxide

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]([C@@H](C1)OC=C=C)C(C)C

DOS

IR

Vibrations