Geometry & MOs

Info

ID:	180868
PubChem CID:	76697401
Reduced:	NO2F9H24C26 (1)
Stoich.:	AB2C9D24E26 (1)
Weight, g/mol:	625.926776
ΔH_f, kcal/mol:	-525.12
Dipole, Da:	2.85
IP(EA), eV:	-9.62(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2,4-bis[(3-methyl-1,3-benzotellurazol-2-ylidene)methyl]-5-oxocyclopenta-1,3-diene-1,3-diolate

Drug info:

PubChemData

Smile

C=CCC1(CCN(C(C1)C2=CC=C(C=C2)C(F)(F)F)CC3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F)CC(=O)O

DOS

IR

Vibrations