Geometry & MOs

Info

ID:	303527
PubChem CID:	124489860
Reduced:	ClNOC5H6 (1)
Stoich.:	ABCD5E6 (1)
Weight, g/mol:	335.209658
ΔH_f, kcal/mol:	-21.54
Dipole, Da:	1.99
IP(EA), eV:	-9.09(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(2R)-butan-2-yl]-[2-(2,6-dimethylphenoxy)acetyl]amino]propanoate

Drug info:

PubChemData

Smile

C1=CO[C@@H](C(=C1)Cl)N

DOS

IR

Vibrations