Geometry & MOs

Info

ID:

447948

PubChem CID:

135287070

Reduced:

FON9C32H32 (1)

Stoich.:

ABC9D32E32 (1)

Weight, g/mol:

647.186335

ΔHf, kcal/mol:

137.39

Dipole, Da:

9.27

IP(EA), eV:

 -8.64(-2.2)

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-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CN(C)CC1=CC(=CN=C1)C2=NC\3=C(C=C2)NN/C3=C/4\N=C5C=NC=C(C5=N4)C6=CC(=CC(=C6)F)OCCN7CCCC7

DOS

IR

Vibrations