Geometry & MOs

Info

ID:

8960

PubChem CID:

84027

Reduced:

NO14C35H35 (1)

Stoich.:

AB14C35D35 (1)

Weight, g/mol:

693.205755

ΔHf, kcal/mol:

-519.59

Dipole, Da:

7.14

IP(EA), eV:

 -8.87(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]-2-(4-hydroxyphenoxy)acetamide

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(=O)CO)O)NC(=O)COC6=CC=C(C=C6)O)O

DOS

IR

Vibrations