Geometry & MOs

Info

ID:	63670
PubChem CID:	26758918
Reduced:	ClFNO4H17C21 (1)
Stoich.:	ABCD4E17F21 (1)
Weight, g/mol:	401.083014
ΔH_f, kcal/mol:	-158.92
Dipole, Da:	6.11
IP(EA), eV:	-8.98(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)Cl)F)OC(=O)C2=CC3=CC=CC=C3C=C2OC

DOS

IR

Vibrations