Geometry & MOs

Info

ID:	30475
PubChem CID:	841391
Reduced:	ClN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	318.101585
ΔH_f, kcal/mol:	-60.7
Dipole, Da:	2.42
IP(EA), eV:	-8.92(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-fluoro-3-nitrophenyl)-2-(3-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)O[C@H](C)C(=O)NN=CC2=CC(=CC=C2)OC)Cl

DOS

IR

Vibrations