Geometry & MOs

Info

ID:

447981

PubChem CID:

135287316

Reduced:

FSO3N8H27C34 (1)

Stoich.:

ABC3D8E27F34 (1)

Weight, g/mol:

653.266299

ΔHf, kcal/mol:

57.53

Dipole, Da:

7.42

IP(EA), eV:

 -8.83(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)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

CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)CC7=CC=CC=C7)/C=C23

DOS

IR

Vibrations