Geometry & MOs

Info

ID:	32848
PubChem CID:	7848910
Reduced:	FNSO6C13H14 (1)
Stoich.:	ABCD6E13F14 (1)
Weight, g/mol:	343.088972
ΔH_f, kcal/mol:	-258.84
Dipole, Da:	4.99
IP(EA), eV:	-9.96(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-oxocyclohexyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

CN(CC(=O)O[C@H]1CCOC1=O)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations