Geometry & MOs

Info

ID:	201280
PubChem CID:	79518253
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	280.070405
ΔH_f, kcal/mol:	21.96
Dipole, Da:	1.51
IP(EA), eV:	-8.3(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N)SCC2=NC(=NO2)C3CC3

DOS

IR

Vibrations