Geometry & MOs

Info

ID:	13823
PubChem CID:	398923
Reduced:	OSBr2Cl2H2C7 (1)
Stoich.:	ABC2D2E2F7 (1)
Weight, g/mol:	363.75497
ΔH_f, kcal/mol:	5.69
Dipole, Da:	3.92
IP(EA), eV:	-10.02(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6R)-1,3-dibromo-5,6-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one

Drug info:

PubChemData

Smile

[C@@H]1([C@H](C(=O)C2=C(SC(=C21)Br)Br)Cl)Cl

DOS

IR

Vibrations