Geometry & MOs

Info

ID:

436544

PubChem CID:

135205147

Reduced:

F4O4N5H31C32 (1)

Stoich.:

A4B4C5D31E32 (1)

Weight, g/mol:

578.211153

ΔHf, kcal/mol:

-262.15

Dipole, Da:

6.46

IP(EA), eV:

 -9.02(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[(1-prop-2-enoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC=C(C1)C2=NN(C3=NC=CC(=C23)C4=CC(=C(C=C4)CNC(=O)C(F)(F)F)F)CC5=CC=C(C=C5)OC

DOS

IR

Vibrations