Geometry & MOs

Info

ID:	249250
PubChem CID:	103088059
Reduced:	FSCl2N2O2C11H11 (1)
Stoich.:	ABC2D2E2F11G11 (1)
Weight, g/mol:	244.106791
ΔH_f, kcal/mol:	-88.44
Dipole, Da:	2.6
IP(EA), eV:	-10.09(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-1-amine

Drug info:

PubChemData

Smile

CC(CC#N)N(C)S(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl

DOS

IR

Vibrations