Geometry & MOs

Info

ID:	35471
PubChem CID:	7979919
Reduced:	SO3N4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	338.046963
ΔH_f, kcal/mol:	-36.85
Dipole, Da:	2.28
IP(EA), eV:	-9.15(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-chloro-2-nitrophenoxy)-N-(2-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CCCC3=CC=CS3

DOS

IR

Vibrations