Geometry & MOs

Info

ID:	7456
PubChem CID:	72744
Reduced:	N2S2O7H16C22 (1)
Stoich.:	A2B2C7D16E22 (1)
Weight, g/mol:	484.039893
ΔH_f, kcal/mol:	-175.21
Dipole, Da:	10.88
IP(EA), eV:	-8.89(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CS(=O)(=O)C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

DOS

IR

Vibrations