Geometry & MOs

Info

ID:	44122
PubChem CID:	10500875
Reduced:	ClFSO2N4H16C17 (1)
Stoich.:	ABCD2E4F16G17 (1)
Weight, g/mol:	394.89361
ΔH_f, kcal/mol:	-43.27
Dipole, Da:	7.0
IP(EA), eV:	-8.62(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-oxo-2H-1lambda3,2-benziodazol-1-yl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

COCCOC1=C(N=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)SC

DOS

IR

Vibrations