Geometry & MOs

Info

ID:	299248
PubChem CID:	117682317
Reduced:	NO5C13H23 (1)
Stoich.:	AB5C13D23 (1)
Weight, g/mol:	276.046773
ΔH_f, kcal/mol:	-265.57
Dipole, Da:	3.07
IP(EA), eV:	-9.79(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-fluoro-4-methylsulfonyloxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CC2(CC[C@@H]1O)OCCO2

DOS

IR

Vibrations