Geometry & MOs

Info

ID:

308906

PubChem CID:

126531826

Reduced:

ClFON6H28C29 (1)

Stoich.:

ABCD6E28F29 (1)

Weight, g/mol:

476.083764

ΔHf, kcal/mol:

24.74

Dipole, Da:

5.91

IP(EA), eV:

 -8.72(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[5-(1-methylpyrazol-4-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]-4-(5-methylsulfonylthiophen-2-yl)imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CC1=C(C(=C2C=C(C=CC2=N1)C3=CN=C(N=C3)C(C)(C)O)NC(C)C4=C(C=CC(=C4)C5=CN(N=C5)C)F)Cl

DOS

IR

Vibrations