Geometry & MOs

Info

ID:

308819

PubChem CID:

126522802

Reduced:

SO3N4C10H11 (2)

Stoich.:

AB3C4D10E11 (2)

Weight, g/mol:

545.233937

ΔHf, kcal/mol:

-170.59

Dipole, Da:

8.83

IP(EA), eV:

 -9.48(-2.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]-2-piperidin-4-ylacetamide

Drug info:

PubChemData

Smile

CC(=O)CN1C(=O)C2=C(N=C(N2C)SSC3=NC4=C(N3C)C(=O)N(C(=O)N4C)CC(=O)C)N(C1=O)C

DOS

IR

Vibrations