Geometry & MOs

Info

ID:	204870
PubChem CID:	80024192
Reduced:	OSC17H22 (1)
Stoich.:	ABC17D22 (1)
Weight, g/mol:	274.102751
ΔH_f, kcal/mol:	-29.45
Dipole, Da:	3.31
IP(EA), eV:	-8.55(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenoxy)-2-phenylpropane-1-thiol

Drug info:

PubChemData

Smile

CC(C)(C)C(COC1=CC=CC2=CC=CC=C21)CS

DOS

IR

Vibrations