Geometry & MOs

Info

ID:	402500
PubChem CID:	135056199
Reduced:	FNS2O4C17H22 (1)
Stoich.:	ABC2D4E17F22 (1)
Weight, g/mol:	220.089958
ΔH_f, kcal/mol:	-157.78
Dipole, Da:	7.51
IP(EA), eV:	-8.2(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4R)-4-fluorocyclohex-2-en-1-yl] benzoate

Drug info:

PubChemData

Smile

C[C@@](C1=CC=CO1)([C@@H](F)S(=O)(=O)C2=CC=CC=C2)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations