Geometry & MOs

Info

ID:	37444
PubChem CID:	8021116
Reduced:	ClNO4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	361.108086
ΔH_f, kcal/mol:	-139.41
Dipole, Da:	0.72
IP(EA), eV:	-9.03(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC(=O)O[C@@H](C)C(=O)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations