Geometry & MOs

Info

ID:	405401
PubChem CID:	135073791
Reduced:	NSO3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	417.078819
ΔH_f, kcal/mol:	-54.7
Dipole, Da:	2.97
IP(EA), eV:	-8.75(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)S(=O)C2=CC=CC=N2

DOS

IR

Vibrations