Geometry & MOs

Info

ID:	384107
PubChem CID:	134976344
Reduced:	SN2F3O3H17C28 (1)
Stoich.:	AB2C3D3E17F28 (1)
Weight, g/mol:	484.064841
ΔH_f, kcal/mol:	-115.84
Dipole, Da:	6.5
IP(EA), eV:	-8.57(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-cyano-2,3-diphenylindolizin-1-yl) 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N3C=CC=C(C3=C2OS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)C#N)C5=CC=CC=C5

DOS

IR

Vibrations