Geometry & MOs

Info

ID:

447865

PubChem CID:

135286428

Reduced:

O2F3N6C15H21 (1)

Stoich.:

A2B3C6D15E21 (1)

Weight, g/mol:

646.191086

ΔHf, kcal/mol:

-140.53

Dipole, Da:

6.89

IP(EA), eV:

 -8.55(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1CCN(CC1)C2=CN=C(C=C2)N(C(=N)N)OC(=O)C(F)(F)F

DOS

IR

Vibrations