Geometry & MOs

Info

ID:	436238
PubChem CID:	135195688
Reduced:	FO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	344.109373
ΔH_f, kcal/mol:	-210.49
Dipole, Da:	2.61
IP(EA), eV:	-8.36(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-fluoro-5-[(1R,2R)-2-(methylsulfonyloxymethyl)cyclohexyl]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)[C@@H]2CCCC[C@H]2COC3=CC4=C(C=C3)OCO4)F

DOS

IR

Vibrations