Geometry & MOs

Info

ID:	10995
PubChem CID:	109777
Reduced:	NaSN2O6H27C28 (1)
Stoich.:	ABC2D6E27F28 (1)
Weight, g/mol:	542.148752
ΔH_f, kcal/mol:	-256.39
Dipole, Da:	11.39
IP(EA), eV:	-8.76(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[[4-(cyclohexylamino)-5-ethoxy-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=CC=CC2=C1C(=O)C3=C(C=CC(=C3C2=O)NC4=CC=CC=C4S(=O)(=O)[O-])NC5CCCCC5.[Na+]

DOS

IR

Vibrations