Geometry & MOs

Info

ID:

444208

PubChem CID:

135261717

Reduced:

FSN6H15C22 (1)

Stoich.:

ABC6D15E22 (1)

Weight, g/mol:

597.195837

ΔHf, kcal/mol:

167.28

Dipole, Da:

2.55

IP(EA), eV:

 -8.38(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]indol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=CC=C(S6)F)N=C2

DOS

IR

Vibrations