Geometry & MOs

Info

ID:	17061
PubChem CID:	482981
Reduced:	SN2O7H18C25 (1)
Stoich.:	AB2C7D18E25 (1)
Weight, g/mol:	490.083472
ΔH_f, kcal/mol:	-180.48
Dipole, Da:	7.45
IP(EA), eV:	-9.17(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(9,10-dioxo-8a,10a-dihydroanthracen-2-yl)carbamoylamino]-4-hydroxynaphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC2C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)O

DOS

IR

Vibrations