Geometry & MOs

Info

ID:	36265
PubChem CID:	7983622
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	402.098249
ΔH_f, kcal/mol:	-123.7
Dipole, Da:	7.92
IP(EA), eV:	-9.13(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)COC(=O)[C@H](C)OC1=CC=C(C=C1)C#N

DOS

IR

Vibrations