Geometry & MOs

Info

ID:	44427
PubChem CID:	10503536
Reduced:	SN2O4H22C25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	446.097014
ΔH_f, kcal/mol:	-74.85
Dipole, Da:	4.44
IP(EA), eV:	-8.64(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis(butylsulfanyl)-4,7-dinitrofluoren-9-one

Drug info:

PubChemData

Smile

C1CN(CC2=C1C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations