Geometry & MOs

Info

ID:

308722

PubChem CID:

126522418

Reduced:

S2F3O4N9H32C33 (1)

Stoich.:

A2B3C4D9E32F33 (1)

Weight, g/mol:

424.11063

ΔHf, kcal/mol:

-122.42

Dipole, Da:

16.08

IP(EA), eV:

 -8.05(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-5-(5-methoxypyridin-3-yl)-3-(4-thiophen-3-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CCNC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CN=CC(=C6)CN7CCC(C7)(F)F)/C=C23)F)S(=O)(=O)C

DOS

IR

Vibrations