Geometry & MOs

Info

ID:	10642
PubChem CID:	106023
Reduced:	SN4O8C26H28 (1)
Stoich.:	AB4C8D26E28 (1)
Weight, g/mol:	556.162785
ΔH_f, kcal/mol:	-267.79
Dipole, Da:	3.66
IP(EA), eV:	-8.29(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid;2-(2-hydroxyethylamino)ethanol

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O.C(CO)NCCO

DOS

IR

Vibrations