Geometry & MOs

Info

ID:	158363
PubChem CID:	56463512
Reduced:	F3N3O3H20C21 (1)
Stoich.:	A3B3C3D20E21 (1)
Weight, g/mol:	419.161184
ΔH_f, kcal/mol:	-159.28
Dipole, Da:	3.75
IP(EA), eV:	-9.59(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations