Geometry & MOs

Info

ID:

662

PubChem CID:

3160

Reduced:

NO11C27H31 (1)

Stoich.:

AB11C27D31 (1)

Weight, g/mol:

545.189711

ΔHf, kcal/mol:

-415.1

Dipole, Da:

5.54

IP(EA), eV:

 -8.72(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-7,8,10,11a-tetrahydro-5aH-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C(C4C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O

DOS

IR

Vibrations