Geometry & MOs

Info

ID:	302678
PubChem CID:	124391971
Reduced:	BrO2C10H15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	330.91501
ΔH_f, kcal/mol:	-100.64
Dipole, Da:	3.86
IP(EA), eV:	-9.91(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5E)-5-[(5-bromofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C[C@@]1(CC/C(=C/Br)/C1(C)C)C(=O)O

DOS

IR

Vibrations