Geometry & MOs

Info

ID:	280398
PubChem CID:	103848932
Reduced:	BrN2O5C12H13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	285.078327
ΔH_f, kcal/mol:	-110.52
Dipole, Da:	4.99
IP(EA), eV:	-10.27(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)C2=CC(=CC(=C2)Br)[N+](=O)[O-])O

DOS

IR

Vibrations