Geometry & MOs

Info

ID:	403312
PubChem CID:	135059693
Reduced:	NO2C24H33 (1)
Stoich.:	AB2C24D33 (1)
Weight, g/mol:	265.980443
ΔH_f, kcal/mol:	-85.49
Dipole, Da:	1.45
IP(EA), eV:	-9.26(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chlorobenzo[c][2,1]benzoxathiine 6,6-dioxide

Drug info:

PubChemData

Smile

COC(=O)CCCCCCCCCCCC1=CC=CC=C1C2=CC=CC=N2

DOS

IR

Vibrations