Geometry & MOs

Info

ID:

443881

PubChem CID:

135260276

Reduced:

FSO3N8H25C29 (1)

Stoich.:

ABC3D8E25F29 (1)

Weight, g/mol:

549.296457

ΔHf, kcal/mol:

35.45

Dipole, Da:

4.09

IP(EA), eV:

 -8.8(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclohexyl-N-[5-[(3E)-3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)CNS(=O)(=O)C)F

DOS

IR

Vibrations