Geometry & MOs

Info

ID:

311142

PubChem CID:

126589609

Reduced:

FN9O10C61H66 (1)

Stoich.:

AB9C10D61E66 (1)

Weight, g/mol:

526.07648

ΔHf, kcal/mol:

-31.64

Dipole, Da:

3.99

IP(EA), eV:

 -7.33(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[6-(2-fluoroethyl)-5-[(E)-5-iodopent-2-en-3-yl]-3-methylpyridin-2-yl]-4-hydroxy-7-methyl-1,4-dihydropyrano[3,4-c]pyridine-3,8-dione

Drug info:

PubChemData

Smile

CCC1C2=C(COC1=O)C(=O)N3CC4=C5CC(CC6=C5C(=CC(=C6C)F)N=C4C3=C2)C(CC(=O)N)NC(=C)CNC(=O)CNC(=C)CNC(=O)CNC(=C)C(CC(=O)OC(C)(C)C)NC(=O)OCC7C8=CC=CC=C8C9=C7C#CC=C9

DOS

IR

Vibrations