Geometry & MOs

Info

ID:	12359
PubChem CID:	135773
Reduced:	NI5O6H10C22 (1)
Stoich.:	AB5C6D10E22 (1)
Weight, g/mol:	1018.5732
ΔH_f, kcal/mol:	-78.76
Dipole, Da:	8.26
IP(EA), eV:	-9.35(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3',6'-dihydroxy-2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-2-iodoacetamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1NC(=O)CI)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)O)I)I)O)I

DOS

IR

Vibrations