Geometry & MOs

Info

ID:	68999
PubChem CID:	46515098
Reduced:	OSF3N5H12C16 (1)
Stoich.:	ABC3D5E12F16 (1)
Weight, g/mol:	417.168856
ΔH_f, kcal/mol:	-69.83
Dipole, Da:	6.03
IP(EA), eV:	-9.5(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,5-dimethoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)N3C=NN=N3)SCC(F)(F)F

DOS

IR

Vibrations