Geometry & MOs

Info

ID:	29830
PubChem CID:	837623
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-135.99
Dipole, Da:	5.55
IP(EA), eV:	-8.64(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O[C@H](C)C(=O)NC2=CC=C(C=C2)C(=O)OC)C

DOS

IR

Vibrations