Geometry & MOs

Info

ID:

447938

PubChem CID:

135286960

Reduced:

FOSN7H18C25 (1)

Stoich.:

ABCD7E18F25 (1)

Weight, g/mol:

442.132428

ΔHf, kcal/mol:

120.42

Dipole, Da:

10.07

IP(EA), eV:

 -8.92(-2.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1,3-dihydropyrazolo[4,3-c]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CN=CC5=N4)C6=CC=C(S6)F)/NN3

DOS

IR

Vibrations