Geometry & MOs

Info

ID:	381001
PubChem CID:	134971624
Reduced:	ClISN2O3H12C20 (1)
Stoich.:	ABCD2E3F12G20 (1)
Weight, g/mol:	417.15896
ΔH_f, kcal/mol:	11.59
Dipole, Da:	3.86
IP(EA), eV:	-9.05(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-cyano-2-(1,3-dihydroisoindol-2-yl)-6-ethoxy-4-phenylpyridin-3-yl]methylidene]propanedinitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C(=O)C4=CN=C(C=C4)Cl)I

DOS

IR

Vibrations