Geometry & MOs

Info

ID:	250526
PubChem CID:	103097298
Reduced:	FOSN2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	295.9619
ΔH_f, kcal/mol:	-9.23
Dipole, Da:	6.5
IP(EA), eV:	-9.35(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=NC(=CS1)C2=C(C=CC=C2F)OC

DOS

IR

Vibrations