Geometry & MOs

Info

ID:	50517
PubChem CID:	12013061
Reduced:	NSO2Cl4C12H17 (1)
Stoich.:	ABC2D4E12F17 (1)
Weight, g/mol:	409.001761
ΔH_f, kcal/mol:	-29.72
Dipole, Da:	3.26
IP(EA), eV:	-9.57(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1E)-1,3,4,4-tetrachloro-2-nitrobuta-1,3-dienyl]sulfanyldecane

Drug info:

PubChemData

Smile

CCCCCCCCS/C(=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-])/Cl

DOS

IR

Vibrations