Geometry & MOs

Info

ID:	204824
PubChem CID:	80014326
Reduced:	NOSC10H13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	307.067843
ΔH_f, kcal/mol:	8.9
Dipole, Da:	3.16
IP(EA), eV:	-9.16(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-nitrophenoxy)-2-phenylpropane-1-thiol

Drug info:

PubChemData

Smile

C1CC1(COC2=CN=CC=C2)CS

DOS

IR

Vibrations