Geometry & MOs

Info

ID:	387665
PubChem CID:	134986360
Reduced:	OCl2N2C9H17 (1)
Stoich.:	AB2C2D9E17 (1)
Weight, g/mol:	309.81218
ΔH_f, kcal/mol:	-37.01
Dipole, Da:	3.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759063
Charge, e:	0

Chem-info

IUPAC name:

5,5-dibromocyclopenta[c]thiophene-4,6-dione

Drug info:

PubChemData

Smile

CCO/C(=C(\N(C)C)/Cl)/C(=[N+](C)C)Cl

DOS

IR

Vibrations