Geometry & MOs

Info

ID:	373941
PubChem CID:	131321557
Reduced:	BrClO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	260.953038
ΔH_f, kcal/mol:	-76.79
Dipole, Da:	5.77
IP(EA), eV:	-9.36(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(2,5-dichloropyridin-3-yl)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)Br)C(C(=O)C)Cl

DOS

IR

Vibrations