Geometry & MOs

Info

ID:	46631
PubChem CID:	10525760
Reduced:	NOSBr2H11C15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	413.105034
ΔH_f, kcal/mol:	27.21
Dipole, Da:	3.66
IP(EA), eV:	-8.37(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[1-(1,2-dimethylindol-3-yl)-2,2,3,3,3-pentafluoropropylidene]-4-propan-2-ylideneoxolane-2,5-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)[N+](=CS2)CC(=O)C3=CC=C(C=C3)Br.[Br-]

DOS

IR

Vibrations