Geometry & MOs

Info

ID:

16007

PubChem CID:

457699

Reduced:

FN2O18C42H47 (1)

Stoich.:

AB2C18D42E47 (1)

Weight, g/mol:

886.280791

ΔHf, kcal/mol:

-768.47

Dipole, Da:

12.53

IP(EA), eV:

 -9.28(-2.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[(5S,6S)-5-[4-[3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(C)C(=O)OC)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)OC7C(C(C(C(O7)CO)O)O)F)NC

DOS

IR

Vibrations