Geometry & MOs

Info

ID:

308984

PubChem CID:

126533499

Reduced:

FSO2N8H19C25 (1)

Stoich.:

ABC2D8E19F25 (1)

Weight, g/mol:

598.191086

ΔHf, kcal/mol:

93.58

Dipole, Da:

6.27

IP(EA), eV:

 -9.02(-2.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[(3E)-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]-2-methylpropanamide

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=CN=CN=C6)/C=C23

DOS

IR

Vibrations