Geometry & MOs

Info

ID:

299564

PubChem CID:

117687708

Reduced:

ClN3O10C39H42 (1)

Stoich.:

AB3C10D39E42 (1)

Weight, g/mol:

925.355445

ΔHf, kcal/mol:

-251.35

Dipole, Da:

3.81

IP(EA), eV:

 -8.65(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(6-aminopyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-[6-(4-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide;2-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2CC(=NO2)C3=CC(=C(C(=C3)OC)OCCCCOC4=C(C=C(C=C4)C5NC6=C(C=C(C=C6)Cl)C(=O)N5)OC)OC

DOS

IR

Vibrations