Geometry & MOs

Info

ID:

448232

PubChem CID:

135289480

Reduced:

SN8H22C26 (1)

Stoich.:

AB8C22D26 (1)

Weight, g/mol:

599.186335

ΔHf, kcal/mol:

234.24

Dipole, Da:

9.29

IP(EA), eV:

 -8.53(-2.14)

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]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC(=CN=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C(=CC=NC6=N5)C7=CC=CS7

DOS

IR

Vibrations