Geometry & MOs

Info

ID:

173271

PubChem CID:

75614268

Reduced:

O2F3N6C19H21 (1)

Stoich.:

A2B3C6D19E21 (1)

Weight, g/mol:

944.279767

ΔHf, kcal/mol:

-153.81

Dipole, Da:

7.14

IP(EA), eV:

 -9.58(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=NC(=NC(=O)C2C=N1)NCCNC(=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations