Geometry & MOs

Info

ID:	384108
PubChem CID:	134976345
Reduced:	ClSN2O3H17C27 (1)
Stoich.:	ABC2D3E17F27 (1)
Weight, g/mol:	472.35526
ΔH_f, kcal/mol:	34.29
Dipole, Da:	8.68
IP(EA), eV:	-8.54(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dioctyl-7,8-dipropylpyrano[3,2-b]pyran-2,6-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations