Geometry & MOs

Info

ID:	372202
PubChem CID:	131294338
Reduced:	BrIOH8C10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	230.036128
ΔH_f, kcal/mol:	-5.49
Dipole, Da:	1.5
IP(EA), eV:	-9.56(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-oxo-5-[(4S)-1,3-thiazolidin-4-yl]-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CC2=C(CC1=O)C=CC(=C2Br)I

DOS

IR

Vibrations