Geometry & MOs

Info

ID:	310114
PubChem CID:	126574635
Reduced:	FSO3N4C20H21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	339.063982
ΔH_f, kcal/mol:	-97.4
Dipole, Da:	3.79
IP(EA), eV:	-9.03(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexa-2,5-diene-1,4-dione;1,3,5-triaza-2lambda5,4,6-triphosphacyclohex-2-ene-1,2,2,4,5,6-hexamine

Drug info:

PubChemData

Smile

CNC(=O)N1C=C(C2=C1C=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)N4CCNCC4

DOS

IR

Vibrations