Geometry & MOs

Info

ID:

444121

PubChem CID:

135261376

Reduced:

ON8C24H24 (1)

Stoich.:

AB8C24D24 (1)

Weight, g/mol:

612.206736

ΔHf, kcal/mol:

151.74

Dipole, Da:

5.67

IP(EA), eV:

 -8.17(-2.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)OC)/C=C32

DOS

IR

Vibrations