Geometry & MOs

Info

ID:

219280

PubChem CID:

85098428

Reduced:

SF3N3O6C36H36 (1)

Stoich.:

AB3C3D6E36F36 (1)

Weight, g/mol:

695.198083

ΔHf, kcal/mol:

-326.46

Dipole, Da:

6.07

IP(EA), eV:

 -9.49(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[5-hydroxy-4-(4-hydroxy-2-methoxymorpholin-4-ium-4-yl)-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;chloride

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)C(=O)C3CC(CC3C(=O)NCC4=CC=C(C=C4)OC(F)(F)F)OCC5=CC=CC=C5

DOS

IR

Vibrations