Geometry & MOs

Info

ID:	404606
PubChem CID:	135067564
Reduced:	NCl2O6H23C25 (1)
Stoich.:	AB2C6D23E25 (1)
Weight, g/mol:	349.167794
ΔH_f, kcal/mol:	-193.22
Dipole, Da:	5.38
IP(EA), eV:	-8.51(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3R)-3-(benzylamino)-2-hydroxy-3-naphthalen-2-ylpropanoate

Drug info:

PubChemData

Smile

C[C@@]12C3=CC(=C(C=C3CCN1C=C(C=C2C(=O)OC)C(=O)C4=C(C(=CC(=C4)Cl)Cl)O)OC)OC

DOS

IR

Vibrations