Geometry & MOs

Info

ID:

8734

PubChem CID:

80837

Reduced:

NNaSO4H16C17 (2)

Stoich.:

ABCD4E16F17 (2)

Weight, g/mol:

706.139547

ΔHf, kcal/mol:

-424.02

Dipole, Da:

6.65

IP(EA), eV:

 -8.45(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;5-butyl-2-[[4-(4-butyl-2-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)CCCC)S(=O)(=O)[O-])C(=O)C5=CC=CC=C5C3=O)S(=O)(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations