Geometry & MOs

Info

ID:	391421
PubChem CID:	135004963
Reduced:	BrS2C8H9 (1)
Stoich.:	AB2C8D9 (1)
Weight, g/mol:	471.76803
ΔH_f, kcal/mol:	42.31
Dipole, Da:	1.8
IP(EA), eV:	-8.59(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-dibromo-3,4,4-trichlorobuta-1,3-dienyl)sulfanylnaphthalene

Drug info:

PubChemData

Smile

CCS/C(=C\C1=CC=CS1)/Br

DOS

IR

Vibrations