Geometry & MOs

Info

ID:	32809
PubChem CID:	7848599
Reduced:	FNSO4C17H18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	351.094057
ΔH_f, kcal/mol:	-165.47
Dipole, Da:	4.29
IP(EA), eV:	-9.85(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations