Geometry & MOs

Info

ID:

309047

PubChem CID:

126535421

Reduced:

FSO3N7C32H32 (1)

Stoich.:

ABC3D7E32F32 (1)

Weight, g/mol:

495.249507

ΔHf, kcal/mol:

33.02

Dipole, Da:

9.69

IP(EA), eV:

 -8.65(-1.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-(7-piperidin-1-ylimidazo[4,5-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]pentanamide

Drug info:

PubChemData

Smile

CCNCS(=O)(=O)C1=CN=CC(=C1)C2=CC\3=C(NN/C3=C/4\C=C5C(=N4)C=CC=C5C6=CC(=CC(=C6)F)OCCN(C)C)N=C2

DOS

IR

Vibrations