Geometry & MOs

Info

ID:	36227
PubChem CID:	7980922
Reduced:	N2F3O3H17C22 (1)
Stoich.:	A2B3C3D17E22 (1)
Weight, g/mol:	345.137636
ΔH_f, kcal/mol:	-185.57
Dipole, Da:	3.36
IP(EA), eV:	-8.86(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2,3-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C(=C(C=C1)F)F)F)OC2=CC=CC=C2C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations