Geometry & MOs

Info

ID:	385046
PubChem CID:	134978199
Reduced:	PO5F12H24C34 (1)
Stoich.:	AB5C12D24E34 (1)
Weight, g/mol:	868.388136
ΔH_f, kcal/mol:	-718.56
Dipole, Da:	9.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.978069
Charge, e:	0

Chem-info

IUPAC name:

octaethyl cyclodocosa-3,8,14,19-tetrayne-1,1,6,6,12,12,17,17-octacarboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(C[P-]34(O2)(C5=CC=CC=C5C(O3)(C(F)(F)F)C(F)(F)F)C6=CC=CC=C6C(O4)(C(F)(F)F)C(F)(F)F)C7=CC=C(C=C7)OC

DOS

IR

Vibrations