Geometry & MOs

Info

ID:

214888

PubChem CID:

85083804

Reduced:

NO7C37H63 (1)

Stoich.:

AB7C37D63 (1)

Weight, g/mol:

634.205027

ΔHf, kcal/mol:

-419.03

Dipole, Da:

5.94

IP(EA), eV:

 -9.41(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-(5-hydroxy-6-methyl-4-phenylmethoxyoxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)CCC(=O)OCC5C(C(C(CN5)O)O)O)C)C

DOS

IR

Vibrations