Geometry & MOs

Info

ID:

15115

PubChem CID:

429836

Reduced:

SN2O10C32H32 (1)

Stoich.:

AB2C10D32E32 (1)

Weight, g/mol:

636.177766

ΔHf, kcal/mol:

-342.42

Dipole, Da:

7.27

IP(EA), eV:

 -8.86(-1.91)

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-4-methoxy-9-(2-pyridin-2-ylsulfanylacetyl)-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(=O)CSC6=CC=CC=N6)O)N)O

DOS

IR

Vibrations