Geometry & MOs

Info

ID:

26022

PubChem CID:

636396

Reduced:

SN5O14C18H39 (1)

Stoich.:

AB5C14D18E39 (1)

Weight, g/mol:

627.231576

ΔHf, kcal/mol:

-625.61

Dipole, Da:

2.25

IP(EA), eV:

 -9.39(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2S)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N.OS(=O)(=O)O

DOS

IR

Vibrations