Geometry & MOs

Info

ID:	231391
PubChem CID:	87573609
Reduced:	SF3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	494.121297
ΔH_f, kcal/mol:	-141.39
Dipole, Da:	4.47
IP(EA), eV:	-9.51(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)S(F)(F)F

DOS

IR

Vibrations