Geometry & MOs

Info

ID:

432939

PubChem CID:

135173076

Reduced:

S2F6O6C17H22 (1)

Stoich.:

A2B6C6D17E22 (1)

Weight, g/mol:

508.213536

ΔHf, kcal/mol:

-546.63

Dipole, Da:

6.18

IP(EA), eV:

 -9.5(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-[7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC=C(C=C1)OS(=O)(=O)C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)C(C)C

DOS

IR

Vibrations