Geometry & MOs

Info

ID:	384089
PubChem CID:	134976314
Reduced:	ClOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	456.060235
ΔH_f, kcal/mol:	-24.53
Dipole, Da:	4.33
IP(EA), eV:	-8.61(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-cyano-2,3-diphenylindolizin-1-yl) thiophene-3-sulfonate

Drug info:

PubChemData

Smile

CC1=C(C(C(=C1C)C)(C)C(=O)C2=CC=CC=C2Cl)C

DOS

IR

Vibrations