Geometry & MOs

Info

ID:	408336
PubChem CID:	135081102
Reduced:	SCl5C9H9 (1)
Stoich.:	AB5C9D9 (1)
Weight, g/mol:	348.863409
ΔH_f, kcal/mol:	-14.3
Dipole, Da:	2.85
IP(EA), eV:	-9.11(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1Z)-1,2,3,4,4-pentachlorobuta-1,3-dienyl]sulfanylaniline

Drug info:

PubChemData

Smile

C1CCC(C1)S/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl

DOS

IR

Vibrations