Geometry & MOs

Info

ID:	47406
PubChem CID:	10532427
Reduced:	N2O4F6C35H38 (1)
Stoich.:	A2B4C6D35E38 (1)
Weight, g/mol:	665.9716
ΔH_f, kcal/mol:	-460.41
Dipole, Da:	7.52
IP(EA), eV:	-9.57(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-triiodo-2,4,6-tris(3-methylbutyl)benzene

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)C(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)OCC3(CCN(CC3)C(=O)OC(C)(C)C)C4=CC=CC=C4

DOS

IR

Vibrations