Geometry & MOs

Info

ID:	243230
PubChem CID:	99217288
Reduced:	ClN3O4H20C22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	425.114234
ΔH_f, kcal/mol:	-89.51
Dipole, Da:	7.77
IP(EA), eV:	-8.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[6-(4-chlorophenoxy)pyridin-3-yl]-2-[(2-phenoxyacetyl)amino]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CN=C(C=C1)OC2=CC=C(C=C2)Cl)NC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations