Geometry & MOs

Info

ID:	29851
PubChem CID:	837777
Reduced:	ClNO3C17H18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	301.11365
ΔH_f, kcal/mol:	-108.64
Dipole, Da:	4.47
IP(EA), eV:	-8.78(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations