Geometry & MOs

Info

ID:	403281
PubChem CID:	135059542
Reduced:	OH12C14 (1)
Stoich.:	AB12C14 (1)
Weight, g/mol:	288.082016
ΔH_f, kcal/mol:	0.8
Dipole, Da:	0.97
IP(EA), eV:	-8.5(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-propan-2-ylbenzo[c][1,2]benzoxathiine 6,6-dioxide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C3=CC=CC=C3CO2

DOS

IR

Vibrations