Geometry & MOs

Info

ID:

444158

PubChem CID:

135261536

Reduced:

FSO2N8H19C25 (1)

Stoich.:

ABC2D8E19F25 (1)

Weight, g/mol:

460.176007

ΔHf, kcal/mol:

93.45

Dipole, Da:

3.6

IP(EA), eV:

 -8.63(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-(4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=NC=CN=C6)/C=C32

DOS

IR

Vibrations