Geometry & MOs

Info

ID:	297883
PubChem CID:	117636366
Reduced:	O2H5C6F9 (1)
Stoich.:	A2B5C6D9 (1)
Weight, g/mol:	319.070071
ΔH_f, kcal/mol:	-557.97
Dipole, Da:	3.4
IP(EA), eV:	-11.45(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hexyl-3,13-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione

Drug info:

PubChemData

Smile

C(C(C(OCC(C(F)(F)F)(F)F)(F)F)(F)F)O

DOS

IR

Vibrations