Geometry & MOs

Info

ID:	445237
PubChem CID:	135265358
Reduced:	N2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	784.273975
ΔH_f, kcal/mol:	79.82
Dipole, Da:	5.54
IP(EA), eV:	-9.13(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-5-[5-methyl-5-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxyhexoxy]hexyl] 2-[(9-oxo-6,7-dihydrothioxanthen-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CCN=C=C(C#N)C1C(C=C1C)C

DOS

IR

Vibrations