Geometry & MOs

Info

ID:

180192

PubChem CID:

76594328

Reduced:

FO4N6C39H47 (1)

Stoich.:

AB4C6D39E47 (1)

Weight, g/mol:

713.350109

ΔHf, kcal/mol:

-159.28

Dipole, Da:

5.8

IP(EA), eV:

 -8.84(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC(=CC=C4)N5C6C(CC(CN6)F)C(=O)N(C5=O)C7CCC(CC7)N

DOS

IR

Vibrations