Geometry & MOs

Info

ID:	390268
PubChem CID:	134998146
Reduced:	O2N4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	552.028913
ΔH_f, kcal/mol:	22.26
Dipole, Da:	4.04
IP(EA), eV:	-10.08(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzoyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)benzoate

Drug info:

PubChemData

Smile

COC1=NC(=NC(=N1)CC2=CC=C(C=C2)C#N)OC

DOS

IR

Vibrations