Geometry & MOs

Info

ID:	323215
PubChem CID:	126673704
Reduced:	SF2N2O5H14C18 (1)
Stoich.:	AB2C2D5E14F18 (1)
Weight, g/mol:	303.056529
ΔH_f, kcal/mol:	-230.17
Dipole, Da:	4.47
IP(EA), eV:	-8.94(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(oxiran-2-ylmethyl)benzo[c][5,1,2]benzoxathiazepine 5,5-dioxide

Drug info:

PubChemData

Smile

C1C(C2C(CN1C(=O)O)OS(=O)O2)N3C4=C(C=C(C=C4)F)C5=C3C=CC(=C5)F

DOS

IR

Vibrations