Geometry & MOs

Info

ID:

447822

PubChem CID:

135286014

Reduced:

FO2N6H23C32 (1)

Stoich.:

AB2C6D23E32 (1)

Weight, g/mol:

529.133237

ΔHf, kcal/mol:

112.41

Dipole, Da:

2.09

IP(EA), eV:

 -8.62(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-fluoro-5-[(2Z)-2-[5-(5-hydroxypyridin-3-yl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)OCC7=CC=CC=C7)/C=C32)F

DOS

IR

Vibrations