Geometry & MOs

Info

ID:

12052

PubChem CID:

128402

Reduced:

N2O5C18H23 (2)

Stoich.:

A2B5C18D23 (2)

Weight, g/mol:

694.321394

ΔHf, kcal/mol:

-346.45

Dipole, Da:

5.63

IP(EA), eV:

 -8.79(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-[N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-C-methylcarbonimidoyl]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NN=C6CC(N(C(C6)(C)C)O)(C)C)C)O)N)O

DOS

IR

Vibrations