Geometry & MOs

Info

ID:	384090
PubChem CID:	134976316
Reduced:	N2S2O3H16C25 (1)
Stoich.:	A2B2C3D16E25 (1)
Weight, g/mol:	492.150764
ΔH_f, kcal/mol:	50.91
Dipole, Da:	9.26
IP(EA), eV:	-8.44(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations