Geometry & MOs

Info

ID:	405657
PubChem CID:	135074867
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	451.039847
ΔH_f, kcal/mol:	-60.84
Dipole, Da:	3.74
IP(EA), eV:	-9.15(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-[(E)-1-(2-chlorophenyl)-3-phenylprop-2-enylidene]amino] 2,3,4,5,6-pentafluorobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CCCCC#CCCOS(=O)(=O)N

DOS

IR

Vibrations