Geometry & MOs

Info

ID:	389505
PubChem CID:	134993349
Reduced:	O2F3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	345.803285
ΔH_f, kcal/mol:	-205.02
Dipole, Da:	6.73
IP(EA), eV:	-8.77(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

3,4-dioxocyclobutene-1,2-dithiolate;nickel(2+)

Drug info:

PubChemData

Smile

CC1=C(C(C2=C1C=CC(=C2)C(F)(F)F)OC)OC

DOS

IR

Vibrations