Geometry & MOs

Info

ID:	397911
PubChem CID:	135030951
Reduced:	Cl3O3C11H13 (1)
Stoich.:	A3B3C11D13 (1)
Weight, g/mol:	270.013777
ΔH_f, kcal/mol:	-135.15
Dipole, Da:	4.45
IP(EA), eV:	-10.53(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentafluoro(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)-lambda6-sulfane

Drug info:

PubChemData

Smile

CC12[C@@H]3[C@@H](O3)CCC1CC(OC2=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations