Geometry & MOs

Info

ID:	384651
PubChem CID:	134977404
Reduced:	NSO3H29C31 (1)
Stoich.:	ABC3D29E31 (1)
Weight, g/mol:	416.119464
ΔH_f, kcal/mol:	-20.98
Dipole, Da:	5.75
IP(EA), eV:	-7.74(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC=CN3C(=C2C4=CC=CC=C4)C5=CC=CC=C5)C(C)(C)C

DOS

IR

Vibrations