Geometry & MOs

Info

ID:	29849
PubChem CID:	837771
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	297.172879
ΔH_f, kcal/mol:	-32.8
Dipole, Da:	4.2
IP(EA), eV:	-8.83(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2,4-dimethylphenoxy)-N-(2-ethylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O[C@H](C)C(=O)NC2=NC3=C(S2)C=C(C=C3)C)C

DOS

IR

Vibrations