Geometry & MOs

Info

ID:

309684

PubChem CID:

126554409

Reduced:

SO7N8C24H34 (1)

Stoich.:

AB7C8D24E34 (1)

Weight, g/mol:

467.254592

ΔHf, kcal/mol:

-191.14

Dipole, Da:

2.7

IP(EA), eV:

 -9.03(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3Z)-3-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(N1CCCC(C1)S(=O)(=O)NC2=NN=C(N2C3=C(N=CN=C3OC)OC)C4=NC(=CC=C4)OC)O

DOS

IR

Vibrations