Geometry & MOs

Info

ID:

444090

PubChem CID:

135261303

Reduced:

FSO3N8H27C31 (1)

Stoich.:

ABC3D8E27F31 (1)

Weight, g/mol:

411.126615

ΔHf, kcal/mol:

40.14

Dipole, Da:

12.46

IP(EA), eV:

 -8.71(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CS(=O)(=O)C(C1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(=O)C7CCC7)/C=C32)F)N

DOS

IR

Vibrations