Geometry & MOs

Info

ID:	204831
PubChem CID:	80014877
Reduced:	SO3C17H28 (1)
Stoich.:	AB3C17D28 (1)
Weight, g/mol:	370.86494
ΔH_f, kcal/mol:	-138.3
Dipole, Da:	2.04
IP(EA), eV:	-8.88(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dibromo-4-nitrophenoxy)propane-1-thiol

Drug info:

PubChemData

Smile

CCCC(CCC)(COC1=CC(=CC(=C1)OC)OC)CS

DOS

IR

Vibrations