Geometry & MOs

Info

ID:	259876
PubChem CID:	103176241
Reduced:	NOSC16H25 (1)
Stoich.:	ABCD16E25 (1)
Weight, g/mol:	250.160266
ΔH_f, kcal/mol:	-49.54
Dipole, Da:	4.07
IP(EA), eV:	-8.69(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methoxypropoxy)ethoxymethyl]-3-methylbutane-1-thiol

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=N1)C)OCC2(CCCCC2)CS

DOS

IR

Vibrations