Geometry & MOs

Info

ID:	138079
PubChem CID:	52309653
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	258.082684
ΔH_f, kcal/mol:	-59.74
Dipole, Da:	7.66
IP(EA), eV:	-8.22(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylbut-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CNC=C2C=CC=CC2=O)OC

DOS

IR

Vibrations