Geometry & MOs

Info

ID:

444274

PubChem CID:

135261933

Reduced:

SF3O5N8H31C39 (1)

Stoich.:

AB3C5D8E31F39 (1)

Weight, g/mol:

481.202637

ΔHf, kcal/mol:

-160.11

Dipole, Da:

10.3

IP(EA), eV:

 -8.98(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-fluoro-5-[(2Z)-2-[5-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]indol-4-yl]phenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)OCCN3CCN(CC3)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(NC6=O)C#N)C7=CC(=C(C=C7)C#N)C(F)(F)F)C

DOS

IR

Vibrations