Geometry & MOs

Info

ID:	29801
PubChem CID:	837428
Reduced:	ClNF2O3H6C14 (1)
Stoich.:	ABC2D3E6F14 (1)
Weight, g/mol:	333.03644
ΔH_f, kcal/mol:	-113.15
Dipole, Da:	2.86
IP(EA), eV:	-9.3(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-bromophenyl)-2-(4-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

C1=COC(=C1)/C=C\2/C(=O)OC(=N2)C3=CC(=C(C=C3Cl)F)F

DOS

IR

Vibrations