Geometry & MOs

Info

ID:	30460
PubChem CID:	841365
Reduced:	ClSN3O4H10C13 (1)
Stoich.:	ABC3D4E10F13 (1)
Weight, g/mol:	332.117235
ΔH_f, kcal/mol:	1.56
Dipole, Da:	8.52
IP(EA), eV:	-9.5(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3,5-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NN=CC2=CC=C(S2)Cl

DOS

IR

Vibrations