Geometry & MOs

Info

ID:	406153
PubChem CID:	135076723
Reduced:	IO7H21C26 (1)
Stoich.:	AB7C21D26 (1)
Weight, g/mol:	575.97711
ΔH_f, kcal/mol:	-163.4
Dipole, Da:	7.52
IP(EA), eV:	-9.06(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-iodo-3-methoxy-5-[(5-oxo-3-trimethylsilyloxy-2H-furan-2-yl)oxy]phenyl] benzenesulfonate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC(=O)OC1OC2=CC(=CC(=C2I)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations