Geometry & MOs

Info

ID:

308896

PubChem CID:

126531804

Reduced:

ClFO3N6H26C29 (1)

Stoich.:

ABC3D6E26F29 (1)

Weight, g/mol:

449.160023

ΔHf, kcal/mol:

-42.29

Dipole, Da:

4.8

IP(EA), eV:

 -9.44(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(furan-3-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)C2=CN(N=C2)CC(=O)O)F)NC3=C4C=C(C=CC4=NC=C3Cl)C5=CN=C(N=C5)C(C)(C)O

DOS

IR

Vibrations