Geometry & MOs

Info

ID:

12019

PubChem CID:

125993

Reduced:

NO10C26H27 (1)

Stoich.:

AB10C26D27 (1)

Weight, g/mol:

513.163496

ΔHf, kcal/mol:

-373.6

Dipole, Da:

6.98

IP(EA), eV:

 -9.52(-1.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1[C@H]([C@H](C[C@@H](O1)OC2C[C@@](CC3=C(C4=C(C=C23)C(=O)C5=C(C4=O)C=CC=C5O)O)(C(=O)CO)O)N)O

DOS

IR

Vibrations