Geometry & MOs

Info

ID:	32820
PubChem CID:	7848649
Reduced:	FN2S2O5H15C17 (1)
Stoich.:	AB2C2D5E15F17 (1)
Weight, g/mol:	413.05
ΔH_f, kcal/mol:	-157.51
Dipole, Da:	4.5
IP(EA), eV:	-9.02(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

CN(CC(=O)OCC1=COC(=N1)C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations