Geometry & MOs

Info

ID:	46971
PubChem CID:	10528711
Reduced:	BrSN2H4C8 (2)
Stoich.:	ABC2D4E8 (2)
Weight, g/mol:	480.01036
ΔH_f, kcal/mol:	154.71
Dipole, Da:	0.03
IP(EA), eV:	-9.3(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydroxy-[2-methoxy-6-[(1S)-1-methoxyethyl]phenyl]iodanium;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(C=C2)C3=NSN=C3Br)C4=NSN=C4Br

DOS

IR

Vibrations