Geometry & MOs

Info

ID:	204902
PubChem CID:	80027724
Reduced:	OSCl2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	254.134051
ΔH_f, kcal/mol:	-48.86
Dipole, Da:	2.36
IP(EA), eV:	-8.93(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-methoxyethyl)phenoxy]methyl]butane-1-thiol

Drug info:

PubChemData

Smile

CC(C)(COC1=C(C=CC=C1Cl)Cl)CS

DOS

IR

Vibrations