Geometry & MOs

Info

ID:	397791
PubChem CID:	135030734
Reduced:	SF3O5C17H17 (1)
Stoich.:	AB3C5D17E17 (1)
Weight, g/mol:	406.214409
ΔH_f, kcal/mol:	-324.56
Dipole, Da:	2.57
IP(EA), eV:	-9.37(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl 8,8-dimethylbicyclo[4.2.0]octane-7,7-dicarboxylate

Drug info:

PubChemData

Smile

CC1(OC2C[C@@H]3C=C([C@@]2(O1)CC4=CC=CC=C34)OS(=O)(=O)C(F)(F)F)C

DOS

IR

Vibrations