Geometry & MOs

Info

ID:	36032
PubChem CID:	7980667
Reduced:	ClFNO3H15C20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	383.092436
ΔH_f, kcal/mol:	-120.84
Dipole, Da:	4.92
IP(EA), eV:	-9.03(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(5-chloro-2-methoxyanilino)-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