Geometry & MOs

Info

ID:	249402
PubChem CID:	103089175
Reduced:	FSCl2N2O3C12H15 (1)
Stoich.:	ABC2D2E3F12G15 (1)
Weight, g/mol:	256.104563
ΔH_f, kcal/mol:	-155.88
Dipole, Da:	2.16
IP(EA), eV:	-9.33(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoroanilino)-5-methylsulfanylpentanamide

Drug info:

PubChemData

Smile

CC(C1CN(CCO1)S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl)N

DOS

IR

Vibrations