Geometry & MOs

Info

ID:

15100

PubChem CID:

429513

Reduced:

N3O9C31H41 (1)

Stoich.:

A3B9C31D41 (1)

Weight, g/mol:

599.28428

ΔHf, kcal/mol:

-353.34

Dipole, Da:

7.68

IP(EA), eV:

 -8.61(-2.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-[1-[2-(dimethylamino)ethylamino]ethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(C)NCCN(C)C)O)N)O

DOS

IR

Vibrations