Geometry & MOs

Info

ID:

308727

PubChem CID:

126522423

Reduced:

FS2O5N7H20C25 (1)

Stoich.:

AB2C5D7E20F25 (1)

Weight, g/mol:

425.196408

ΔHf, kcal/mol:

-37.49

Dipole, Da:

10.43

IP(EA), eV:

 -8.85(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CN=C(N6S(=O)(=O)C)S(=O)(=O)C)/C=C23)F

DOS

IR

Vibrations