Geometry & MOs

Info

ID:	29813
PubChem CID:	837496
Reduced:	NCl2O3H7C14 (1)
Stoich.:	AB2C3D7E14 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-35.42
Dipole, Da:	5.66
IP(EA), eV:	-9.54(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(2S)-2-(2-methylphenoxy)propanoyl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)C2=CC=C(O2)/C=C(/C#N)\C(=O)O

DOS

IR

Vibrations