Geometry & MOs

Info

ID:

308963

PubChem CID:

126532935

Reduced:

ON6H22C25 (1)

Stoich.:

AB6C22D25 (1)

Weight, g/mol:

584.175436

ΔHf, kcal/mol:

121.28

Dipole, Da:

6.56

IP(EA), eV:

 -8.41(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C=CC=CC6=N5)N=C3

DOS

IR

Vibrations