Geometry & MOs

Info

ID:

59738

PubChem CID:

24895213

Reduced:

SF2Cl4N4H10C23 (1)

Stoich.:

AB2C4D4E10F23 (1)

Weight, g/mol:

469.1849

ΔHf, kcal/mol:

62.53

Dipole, Da:

6.53

IP(EA), eV:

 -9.08(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7aS,9Z,11S,11aS,12aR)-9-[amino(hydroxy)methylidene]-11-(dimethylamino)-5,6,7a-trihydroxy-2,3,4,11,11a,12,12a,13-octahydro-1H-anthra[7,6-g]quinoline-7,8,10-trione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C\2/C(=NN3C(=NN=C3S2)C4=CC(=C(C=C4Cl)Cl)F)C5=CC(=C(C=C5Cl)Cl)F

DOS

IR

Vibrations