Geometry & MOs

Info

ID:	63672
PubChem CID:	26758924
Reduced:	ClN2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	384.087685
ΔH_f, kcal/mol:	-99.72
Dipole, Da:	3.82
IP(EA), eV:	-9.05(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-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(N=CC=C1)Cl)OC(=O)C2=CC3=CC=CC=C3C=C2OC

DOS

IR

Vibrations