Geometry & MOs

Info

ID:	10996
PubChem CID:	109778
Reduced:	SN2O6C28H28 (1)
Stoich.:	AB2C6D28E28 (1)
Weight, g/mol:	520.166808
ΔH_f, kcal/mol:	-182.04
Dipole, Da:	8.53
IP(EA), eV:	-8.39(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(cyclohexylamino)-5-ethoxy-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC2=C1C(=O)C3=C(C=CC(=C3C2=O)NC4=CC=CC=C4S(=O)(=O)O)NC5CCCCC5

DOS

IR

Vibrations