Geometry & MOs

Info

ID:

339190

PubChem CID:

127260569

Reduced:

Cl2N2O11C32H40 (1)

Stoich.:

A2B2C11D32E40 (1)

Weight, g/mol:

626.24756

ΔHf, kcal/mol:

-514.46

Dipole, Da:

6.1

IP(EA), eV:

 -9.16(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7R,9R)-9-acetyl-7,9-bis[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)O[C@@H]2C[C@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)OC6CC(C(C(O6)C)O)N)N)O.Cl.Cl

DOS

IR

Vibrations