Geometry & MOs

Info

ID:	56287
PubChem CID:	17424985
Reduced:	SO3N4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	269.062283
ΔH_f, kcal/mol:	-107.12
Dipole, Da:	5.61
IP(EA), eV:	-8.3(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)C3=CSC(=N3)NC(=O)CCCN4C(=O)C5(CCCC5)NC4=O

DOS

IR

Vibrations