Geometry & MOs

Info

ID:	408461
PubChem CID:	135081227
Reduced:	O4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	499.66289
ΔH_f, kcal/mol:	-170.0
Dipole, Da:	4.23
IP(EA), eV:	-8.83(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-(1,2-dibromo-3,4,4-trichlorobuta-1,3-dienyl)sulfanylbenzene

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC)[C@@](C)(C1=CC=C(C=C1)OC)O

DOS

IR

Vibrations