Geometry & MOs

Info

ID:	36031
PubChem CID:	7980666
Reduced:	ClFNO3H15C20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	371.072449
ΔH_f, kcal/mol:	-121.43
Dipole, Da:	5.37
IP(EA), eV:	-9.15(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations