Geometry & MOs

Info

ID:

309068

PubChem CID:

126535961

Reduced:

ON8H14C22 (1)

Stoich.:

AB8C14D22 (1)

Weight, g/mol:

613.201985

ΔHf, kcal/mol:

203.48

Dipole, Da:

5.31

IP(EA), eV:

 -8.82(-2.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

C1=CC(=NC\2=C1NN/C2=C\3/N=C4C(=CC=NC4=N3)C5=CC=NC=C5)C6=CC(=CN=C6)O

DOS

IR

Vibrations