Geometry & MOs

Info

ID:	63671
PubChem CID:	26758919
Reduced:	ClFNO4H17C21 (1)
Stoich.:	ABCD4E17F21 (1)
Weight, g/mol:	384.087685
ΔH_f, kcal/mol:	-157.32
Dipole, Da:	5.91
IP(EA), eV:	-8.94(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2-chloropyridin-3-yl)amino]-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