Geometry & MOs

Info

ID:

444223

PubChem CID:

135261765

Reduced:

FSO3N7H26C34 (1)

Stoich.:

ABC3D7E26F34 (1)

Weight, g/mol:

380.149793

ΔHf, kcal/mol:

54.16

Dipole, Da:

6.63

IP(EA), eV:

 -8.35(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-(4-methylimidazol-1-yl)indol-2-ylidene]-5-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CS(=O)(=O)C(C1=CC(=CC(=C1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)C7=CC=CC=C7)/C=C32)F)N

DOS

IR

Vibrations