Geometry & MOs

Info

ID:

444207

PubChem CID:

135261708

Reduced:

FSO3N7H32C34 (1)

Stoich.:

ABC3D7E32F34 (1)

Weight, g/mol:

414.106294

ΔHf, kcal/mol:

2.83

Dipole, Da:

5.89

IP(EA), eV:

 -8.56(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-(5-fluorothiophen-2-yl)indol-2-ylidene]-5-(1-methylpyrazol-4-yl)-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=CC=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)C7CCCCC7)/C=C32

DOS

IR

Vibrations