Geometry & MOs

Info

ID:

309005

PubChem CID:

126534163

Reduced:

OSF3N6C25H29 (1)

Stoich.:

ABC3D6E25F29 (1)

Weight, g/mol:

524.193629

ΔHf, kcal/mol:

-116.0

Dipole, Da:

8.39

IP(EA), eV:

 -8.65(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(3-fluorophenyl)indol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C2=NN=C(N2C)SCCCN3C[C@@H]4CCN([C@@H]4C3)C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations