Geometry & MOs

Info

ID:	249415
PubChem CID:	103089289
Reduced:	FNSCl2O4C12H14 (1)
Stoich.:	ABCD2E4F12G14 (1)
Weight, g/mol:	267.1293
ΔH_f, kcal/mol:	-204.26
Dipole, Da:	3.37
IP(EA), eV:	-9.74(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-anilino-5-methylsulfanylpentanoate

Drug info:

PubChemData

Smile

CCCN(CC(=O)OC)S(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl

DOS

IR

Vibrations