Geometry & MOs

Info

ID:	290813
PubChem CID:	111123414
Reduced:	SO2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	271.044919
ΔH_f, kcal/mol:	-31.77
Dipole, Da:	3.49
IP(EA), eV:	-8.57(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]ethanol

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCCOCCO)C2=CC=CC(=C2)C

DOS

IR

Vibrations