Geometry & MOs

Info

ID:	2300
PubChem CID:	6689
Reduced:	S2N3O8H15C20 (1)
Stoich.:	A2B3C8D15E20 (1)
Weight, g/mol:	489.030057
ΔH_f, kcal/mol:	-247.27
Dipole, Da:	7.76
IP(EA), eV:	-8.35(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-4-(4-amino-3-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)N

DOS

IR

Vibrations