Geometry & MOs

Info

ID:	396161
PubChem CID:	135027555
Reduced:	N2O3H16C18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	590.9141
ΔH_f, kcal/mol:	-57.9
Dipole, Da:	3.26
IP(EA), eV:	-9.19(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[[2-(2-iodo-4,6-dimethylphenyl)-3,5-dimethylphenyl]-oxido-lambda3-iodanyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N(C(=O)C)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations