Geometry & MOs

Info

ID:	398019
PubChem CID:	135031388
Reduced:	OSF5C15H15 (1)
Stoich.:	ABC5D15E15 (1)
Weight, g/mol:	891.5635
ΔH_f, kcal/mol:	-257.34
Dipole, Da:	7.75
IP(EA), eV:	-9.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;2,3,4,5-tetrachloro-6-(2,4,7-triiodo-3-oxido-6-oxoxanthen-9-yl)benzoate

Drug info:

PubChemData

Smile

C[C@](CC1=CC=C(C=C1)S(F)(F)(F)(F)F)(C2=CC=CC=C2)O

DOS

IR

Vibrations