Geometry & MOs

Info

ID:	323206
PubChem CID:	126673612
Reduced:	SN3F5O6H28C29 (1)
Stoich.:	AB3C5D6E28F29 (1)
Weight, g/mol:	287.061614
ΔH_f, kcal/mol:	-454.5
Dipole, Da:	3.47
IP(EA), eV:	-8.66(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-prop-2-enylbenzo[c][5,1,2]benzoxathiazepine 5,5-dioxide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@H](C(C(C1)N2C3=C(C=C(C=C3)F)C4=C2C=CC(=C4)F)O)NS(=O)(=O)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations