Geometry & MOs

Info

ID:	227257
PubChem CID:	87560902
Reduced:	INaSCl2N7O8H17C20 (1)
Stoich.:	ABCD2E7F8G17H20 (1)
Weight, g/mol:	403.154131
ΔH_f, kcal/mol:	-304.01
Dipole, Da:	5.11
IP(EA), eV:	-9.36(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1,2,3,5,5-pentamethylcyclopenta-1,3-diene;1-phenylnaphthalen-2-ol;titanium

Drug info:

PubChemData

Smile

CC1=NC(=NC(=N1)OC)NC(=O)[N-]S(=O)(=O)C2=C(C=CC(=C2)I)C(=O)OC.C1=C(C(=C(N=C1Cl)C(=O)O)Cl)N.[Na+]

DOS

IR

Vibrations