Geometry & MOs

Info

ID:	137286
PubChem CID:	52184278
Reduced:	FINO2C17H17 (1)
Stoich.:	ABCD2E17F17 (1)
Weight, g/mol:	295.106457
ΔH_f, kcal/mol:	-72.52
Dipole, Da:	4.37
IP(EA), eV:	-9.43(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide

Drug info:

PubChemData

Smile

CCOCC1=CC=C(C=C1)CNC(=O)C2=C(C=C(C=C2)F)I

DOS

IR

Vibrations