Geometry & MOs

Info

ID:

448012

PubChem CID:

135287567

Reduced:

FSO3N8H29C32 (1)

Stoich.:

ABC3D8E29F32 (1)

Weight, g/mol:

491.218206

ΔHf, kcal/mol:

21.72

Dipole, Da:

10.22

IP(EA), eV:

 -8.85(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-[4-(4-methylimidazol-1-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-5-(5-piperidin-4-yloxypyridin-3-yl)-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)C7CCCC7)/C=C23

DOS

IR

Vibrations