Geometry & MOs

Info

ID:	14750
PubChem CID:	419493
Reduced:	SN3O5H15C20 (1)
Stoich.:	AB3C5D15E20 (1)
Weight, g/mol:	409.073242
ΔH_f, kcal/mol:	-119.19
Dipole, Da:	3.92
IP(EA), eV:	-8.18(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-4-(3-aminoanilino)-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=CC(=C4)N)S(=O)(=O)O)N

DOS

IR

Vibrations