Geometry & MOs

Info

ID:

308942

PubChem CID:

126532290

Reduced:

FSO2N8H27C29 (1)

Stoich.:

ABC2D8E27F29 (1)

Weight, g/mol:

513.138322

ΔHf, kcal/mol:

81.85

Dipole, Da:

7.94

IP(EA), eV:

 -8.74(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=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