Geometry & MOs

Info

ID:	32808
PubChem CID:	7848595
Reduced:	FNSO5C21H24 (1)
Stoich.:	ABCD5E21F24 (1)
Weight, g/mol:	351.094057
ΔH_f, kcal/mol:	-210.53
Dipole, Da:	2.49
IP(EA), eV:	-9.39(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations