Geometry & MOs

Info

ID:	193943
PubChem CID:	78459491
Reduced:	FNO2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	387.148201
ΔH_f, kcal/mol:	-75.08
Dipole, Da:	4.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.085881
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate

Drug info:

PubChemData

Smile

C1COCC[NH+]1CC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations