Geometry & MOs

Info

ID:	146634
PubChem CID:	53721357
Reduced:	SN2O3H26C27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	595.066439
ΔH_f, kcal/mol:	-20.15
Dipole, Da:	3.48
IP(EA), eV:	-8.55(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl 5-(2-nitrophenyl)-3-oxopent-4-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=C(C=C(C=C2S(=O)(=O)N)CNC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations