Geometry & MOs

Info

ID:	372702
PubChem CID:	131302865
Reduced:	OSN2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	219.010248
ΔH_f, kcal/mol:	-26.38
Dipole, Da:	2.82
IP(EA), eV:	-9.21(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-5-(1,3-thiazol-4-yl)-1,2-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C(CC2=CC=CS2)N

DOS

IR

Vibrations