Geometry & MOs

Info

ID:

215463

PubChem CID:

85084773

Reduced:

SN9O9C47H65 (1)

Stoich.:

AB9C9D47E65 (1)

Weight, g/mol:

932.279767

ΔHf, kcal/mol:

-383.0

Dipole, Da:

8.56

IP(EA), eV:

 -8.79(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-3-methoxy-6-methylanthracene-9,10-dione

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCSC)C(=O)NN)N1CCC(C1=O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC4=CC=CC=C43)NC(=O)C(CCC(=O)N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations