Geometry & MOs

Info

ID:	85286
PubChem CID:	49873456
Reduced:	TiO6C40H52 (1)
Stoich.:	AB6C40D52 (1)
Weight, g/mol:	652.02559
ΔH_f, kcal/mol:	-187.58
Dipole, Da:	5.01
IP(EA), eV:	-7.57(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyltin;3-fluorobenzoic acid;hydrate

Drug info:

PubChemData

Smile

CC(=O)/C=C(\[O-])/C1=CC=CC=C1.CC(=O)/C=C(\[O-])/C1=CC=CC=C1.CC1(C2(C(CC1CC2)[O-])C)C.CC1(C2(C(CC1CC2)[O-])C)C.[Ti+4]

DOS

IR

Vibrations