Geometry & MOs

Info

ID:	204897
PubChem CID:	80027367
Reduced:	OSC15H22 (1)
Stoich.:	ABC15D22 (1)
Weight, g/mol:	252.154787
ΔH_f, kcal/mol:	-45.97
Dipole, Da:	2.06
IP(EA), eV:	-8.75(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-thiol

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1OCC2(CCCC2)CS

DOS

IR

Vibrations