Geometry & MOs

Info

ID:	146228
PubChem CID:	53654452
Reduced:	N2O2S2C19H34 (1)
Stoich.:	A2B2C2D19E34 (1)
Weight, g/mol:	512.100121
ΔH_f, kcal/mol:	-113.97
Dipole, Da:	7.68
IP(EA), eV:	-8.59(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[9,10-dioxo-6-(4-phosphonobutoxy)anthracen-2-yl]oxybutylphosphonic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)NCCSCCN)C(C)C

DOS

IR

Vibrations