Geometry & MOs

Info

ID:	230674
PubChem CID:	87571626
Reduced:	KSO5H6C7 (1)
Stoich.:	ABC5D6E7 (1)
Weight, g/mol:	424.071436
ΔH_f, kcal/mol:	-236.77
Dipole, Da:	7.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.841896
Charge, e:	-1

Chem-info

IUPAC name:

dichlorotitanium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;(6E)-6-(1H-pyridin-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)O.[K]

DOS

IR

Vibrations