Geometry & MOs

Info

ID:	198718
PubChem CID:	79140934
Reduced:	FSO2N3C11H12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	249.064592
ΔH_f, kcal/mol:	-99.8
Dipole, Da:	3.37
IP(EA), eV:	-8.33(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(2-thiophen-2-ylethylsulfanyl)aniline

Drug info:

PubChemData

Smile

C1C(=O)N(C(=O)N1)CCSC2=CC(=C(C=C2)N)F

DOS

IR

Vibrations