Geometry & MOs

Info

ID:	385916
PubChem CID:	134980318
Reduced:	F3O3H7C8 (1)
Stoich.:	A3B3C7D8 (1)
Weight, g/mol:	248.087101
ΔH_f, kcal/mol:	-248.72
Dipole, Da:	3.69
IP(EA), eV:	-10.88(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2S)-2-phenylsulfanylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C1=C[C@@H]2[C@@H]([C@@H]([C@H]1O2)C(=O)O)C(F)(F)F

DOS

IR

Vibrations