Geometry & MOs

Info

ID:	406198
PubChem CID:	135076860
Reduced:	NO2H21C22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	613.92022
ΔH_f, kcal/mol:	-13.39
Dipole, Da:	5.85
IP(EA), eV:	-8.9(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1C=C(C(=C1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations