Geometry & MOs

Info

ID:

1650

PubChem CID:

4821

Reduced:

NO13C34H49 (1)

Stoich.:

AB13C34D49 (1)

Weight, g/mol:

679.320391

ΔHf, kcal/mol:

-534.73

Dipole, Da:

4.06

IP(EA), eV:

 -8.94(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-(4-amino-3,5-dihydroxy-2,6-dimethyloxan-2-yl)oxy-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC3C(O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4(C(C(C(C(O4)C)O)N)O)C

DOS

IR

Vibrations