Geometry & MOs

Info

ID:

449672

PubChem CID:

135300507

Reduced:

FO2N7H26C29 (1)

Stoich.:

AB2C7D26E29 (1)

Weight, g/mol:

614.222386

ΔHf, kcal/mol:

51.15

Dipole, Da:

6.2

IP(EA), eV:

 -8.79(-2.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=CN=CC5=N4)C6=CC(=CC(=C6)F)O)/NN3)O

DOS

IR

Vibrations