Geometry & MOs

Info

ID:

8348

PubChem CID:

76676

Reduced:

NSO5H11C14 (2)

Stoich.:

ABC5D11E14 (2)

Weight, g/mol:

610.071587

ΔHf, kcal/mol:

-317.38

Dipole, Da:

10.6

IP(EA), eV:

 -8.66(-2.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4,8-dihydroxy-5-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]-5-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)NC5=C(C=C(C=C5)C)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations