Geometry & MOs

Info

ID:	29151
PubChem CID:	832004
Reduced:	BrON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	338.108899
ΔH_f, kcal/mol:	15.83
Dipole, Da:	4.38
IP(EA), eV:	-8.59(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2)C)Br

DOS

IR

Vibrations