Geometry & MOs

Info

ID:	9794
PubChem CID:	93368
Reduced:	S2N5O9H11C13 (1)
Stoich.:	A2B5C9D11E13 (1)
Weight, g/mol:	444.999819
ΔH_f, kcal/mol:	-290.17
Dipole, Da:	3.81
IP(EA), eV:	-10.1(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(hydrazinecarbonylamino)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonic acid

Drug info:

PubChemData

Smile

C1=C(C=C2C3=C1C(=C(C=C3C(=O)N(C2=O)NC(=O)NN)S(=O)(=O)O)N)S(=O)(=O)O

DOS

IR

Vibrations