Geometry & MOs

Info

ID:	372857
PubChem CID:	131306043
Reduced:	BrN2O2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	167.015333
ΔH_f, kcal/mol:	-31.37
Dipole, Da:	5.15
IP(EA), eV:	-10.1(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,2-thiazol-3-yl)-1,2-oxazol-4-amine

Drug info:

PubChemData

Smile

C1C[C@@](C2=CC(=CC(=C21)C#N)Br)(C(=O)O)N

DOS

IR

Vibrations