Geometry & MOs

Info

ID:	39501
PubChem CID:	8141044
Reduced:	NCl2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	337.063634
ΔH_f, kcal/mol:	-95.83
Dipole, Da:	4.83
IP(EA), eV:	-8.74(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-phenoxypropanamide

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=C(C=C1)Cl)Cl)NC(=O)C2=C(C(=CC=C2)OC)OC

DOS

IR

Vibrations