Geometry & MOs

Info

ID:	29853
PubChem CID:	837781
Reduced:	NSO2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	283.157229
ΔH_f, kcal/mol:	-47.86
Dipole, Da:	3.56
IP(EA), eV:	-8.34(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3,5-dimethylphenyl)-2-(2-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1O[C@H](C)C(=O)NC2=CC(=CC=C2)SC

DOS

IR

Vibrations