Geometry & MOs

Info

ID:

447937

PubChem CID:

135286953

Reduced:

FO2N8C36H37 (1)

Stoich.:

AB2C8D36E37 (1)

Weight, g/mol:

483.127758

ΔHf, kcal/mol:

47.65

Dipole, Da:

8.9

IP(EA), eV:

 -8.81(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CN=CC5=N4)C6=CC(=CC(=C6)F)OCCN7CCCC7)/NN3

DOS

IR

Vibrations