Geometry & MOs

Info

ID:

227368

PubChem CID:

87561545

Reduced:

ON5H19C21 (1)

Stoich.:

AB5C19D21 (1)

Weight, g/mol:

958.446319

ΔHf, kcal/mol:

101.42

Dipole, Da:

4.35

IP(EA), eV:

 -8.86(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol

Drug info:

PubChemData

Smile

CC(C)NC1=NN2C=C(C(=NC2=N1)C3=CC=C(C=C3)C=O)C4=CC=CC=C4

DOS

IR

Vibrations