Geometry & MOs

Info

ID:	405983
PubChem CID:	135076186
Reduced:	SF3O5C16H17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	350.079965
ΔH_f, kcal/mol:	-331.22
Dipole, Da:	4.15
IP(EA), eV:	-9.59(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(3-methoxyphenyl)methyl]-5-methylcyclopenten-1-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1(CCC=C1OS(=O)(=O)C(F)(F)F)CC2=CC(=CC=C2)C(=O)OC

DOS

IR

Vibrations