Geometry & MOs

Info

ID:

448059

PubChem CID:

135288071

Reduced:

O2N8H22C27 (1)

Stoich.:

A2B8C22D27 (1)

Weight, g/mol:

610.191086

ΔHf, kcal/mol:

155.02

Dipole, Da:

10.71

IP(EA), eV:

 -8.42(-2.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CC7=C(C=C6)OCO7

DOS

IR

Vibrations