Geometry & MOs

Info

ID:	25879
PubChem CID:	632416
Reduced:	SN2O4F9H11C18 (1)
Stoich.:	AB2C4D9E11F18 (1)
Weight, g/mol:	363.04701
ΔH_f, kcal/mol:	-550.43
Dipole, Da:	6.21
IP(EA), eV:	-9.28(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-hydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-12,13-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NS(=O)(=O)C2=C(C(=C(C=C2)OCC(F)(F)F)C#N)OCC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations