Geometry & MOs

Info

ID:

309034

PubChem CID:

126535175

Reduced:

SO2N8H24C28 (1)

Stoich.:

AB2C8D24E28 (1)

Weight, g/mol:

524.20845

ΔHf, kcal/mol:

130.84

Dipole, Da:

9.92

IP(EA), eV:

 -8.64(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[(3Z)-3-[7-(3-fluoro-5-methoxyphenyl)imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]oxy-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)C(C)(C)C)NN4)/N=C23

DOS

IR

Vibrations