Geometry & MOs

Info

ID:	201341
PubChem CID:	79527379
Reduced:	NOSC16H25 (1)
Stoich.:	ABCD16E25 (1)
Weight, g/mol:	280.070405
ΔH_f, kcal/mol:	-56.01
Dipole, Da:	1.38
IP(EA), eV:	-7.96(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

CCC1CCCCC1SC2=C(C=CC(=C2)OCC)N

DOS

IR

Vibrations