Geometry & MOs

Info

ID:	35756
PubChem CID:	7980288
Reduced:	ClNO2H7C8 (2)
Stoich.:	ABC2D7E8 (2)
Weight, g/mol:	317.106336
ΔH_f, kcal/mol:	-117.03
Dipole, Da:	2.41
IP(EA), eV:	-9.35(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations