Geometry & MOs

Info

ID:	300168
PubChem CID:	121147434
Reduced:	SO2N3H15C20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	311.072848
ΔH_f, kcal/mol:	49.56
Dipole, Da:	6.37
IP(EA), eV:	-8.96(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=C(SC=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations