Geometry & MOs

Info

ID:	121091
PubChem CID:	50755493
Reduced:	SO2N4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	402.115047
ΔH_f, kcal/mol:	47.85
Dipole, Da:	7.5
IP(EA), eV:	-9.09(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)C)C)C3=NC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations