Geometry & MOs

Info

ID:

443883

PubChem CID:

135260284

Reduced:

ON7H17C24 (1)

Stoich.:

AB7C17D24 (1)

Weight, g/mol:

632.175436

ΔHf, kcal/mol:

195.23

Dipole, Da:

5.92

IP(EA), eV:

 -8.5(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5C6=CC=CC=N6

DOS

IR

Vibrations