Geometry & MOs

Info

ID:

447949

PubChem CID:

135287071

Reduced:

FSO3N9H26C33 (1)

Stoich.:

ABC3D9E26F33 (1)

Weight, g/mol:

476.196074

ΔHf, kcal/mol:

77.26

Dipole, Da:

13.2

IP(EA), eV:

 -8.75(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-5-(5-cyclohexyloxypyridin-3-yl)-3-[4-(furan-3-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=CN=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)CC7=CC=CC=C7)NN4)/N=C23

DOS

IR

Vibrations