Geometry & MOs

Info

ID:	138085
PubChem CID:	52311150
Reduced:	BrNOCl3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	289.093663
ΔH_f, kcal/mol:	-35.22
Dipole, Da:	4.37
IP(EA), eV:	-9.48(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)[C@]2(CC2(Cl)Cl)C)Cl)Br

DOS

IR

Vibrations