Geometry & MOs

Info

ID:	320621
PubChem CID:	126662126
Reduced:	SO3H16C26 (1)
Stoich.:	AB3C16D26 (1)
Weight, g/mol:	454.02185
ΔH_f, kcal/mol:	-2.35
Dipole, Da:	4.51
IP(EA), eV:	-8.6(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

19-iodohexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21,23,25-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C(=CC=C3)S(=O)(=O)O)C4=C2C5=CC=CC=C5C6=CC=CC=C64

DOS

IR

Vibrations