Geometry & MOs

Info

ID:	13822
PubChem CID:	398921
Reduced:	SBr2O3H6C7 (1)
Stoich.:	AB2C3D6E7 (1)
Weight, g/mol:	329.83839
ΔH_f, kcal/mol:	-85.86
Dipole, Da:	3.63
IP(EA), eV:	-9.91(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,6S)-1,3-dibromo-5,6-dihydro-4H-cyclopenta[c]thiophene-4,5,6-triol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations