Geometry & MOs

Info

ID:	44946
PubChem CID:	10506739
Reduced:	SiF3O4C29H47 (1)
Stoich.:	AB3C4D29E47 (1)
Weight, g/mol:	544.400194
ΔH_f, kcal/mol:	-413.0
Dipole, Da:	7.09
IP(EA), eV:	-9.09(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6,9,14,17,22,25,30-octazapentacyclo[28.2.2.26,9.214,17.222,25]tetraconta-3,11,19,27-tetrayne

Drug info:

PubChemData

Smile

CCCCCC/C=C/C\1(C=C(C(=O)/C1=C/CCCCCC(=O)OCC)C(F)(F)F)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations