Geometry & MOs

Info

ID:	393188
PubChem CID:	135019651
Reduced:	NO3H19C22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	509.037644
ΔH_f, kcal/mol:	-62.46
Dipole, Da:	3.49
IP(EA), eV:	-8.49(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfonyloxybutyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1C(C2=CC=CC3=C2C1=CC=C3)CC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations