Geometry & MOs

Info

ID:	405993
PubChem CID:	135076196
Reduced:	ISiO6C21H23 (1)
Stoich.:	ABC6D21E23 (1)
Weight, g/mol:	652.00841
ΔH_f, kcal/mol:	-211.46
Dipole, Da:	4.72
IP(EA), eV:	-8.89(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC2C(=CC(=O)O2)O[Si](C)(C)C)I)OCC3=CC=CC=C3

DOS

IR

Vibrations