Geometry & MOs

Info

ID:	69277
PubChem CID:	46530565
Reduced:	ClF2N3O3C14H14 (1)
Stoich.:	AB2C3D3E14F14 (1)
Weight, g/mol:	427.210721
ΔH_f, kcal/mol:	-173.9
Dipole, Da:	8.12
IP(EA), eV:	-8.85(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-triethoxy-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NC2=CC(=C(C=C2)OC)OC(F)F)Cl)C

DOS

IR

Vibrations