Geometry & MOs

Info

ID:

1224

PubChem CID:

4013

Reduced:

NO13C33H39 (1)

Stoich.:

AB13C33D39 (1)

Weight, g/mol:

657.24214

ΔHf, kcal/mol:

-530.09

Dipole, Da:

7.26

IP(EA), eV:

 -9.06(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2C(OC(CC2N)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)C)O)C)O)O

DOS

IR

Vibrations