Geometry & MOs

Info

ID:	395517
PubChem CID:	135025688
Reduced:	O3N4H18C24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	896.31356
ΔH_f, kcal/mol:	27.64
Dipole, Da:	3.01
IP(EA), eV:	-8.33(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxy-4,6-bis[[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxy]phenyl]-phenyliodanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N4N2C(=O)C(=C4)C5=CC=CC=C5

DOS

IR

Vibrations