Geometry & MOs

Info

ID:

12025

PubChem CID:

126376

Reduced:

O12C27H28 (1)

Stoich.:

A12B27C28 (1)

Weight, g/mol:

544.158076

ΔHf, kcal/mol:

-437.55

Dipole, Da:

4.82

IP(EA), eV:

 -9.52(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy-2,5,7-trihydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(C(C(=O)C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)(C)O)OC)OC)O)O

DOS

IR

Vibrations