Geometry & MOs

Info

ID:

432872

PubChem CID:

135173009

Reduced:

FOSN8H21C29 (1)

Stoich.:

ABCD8E21F29 (1)

Weight, g/mol:

667.192563

ΔHf, kcal/mol:

164.54

Dipole, Da:

10.54

IP(EA), eV:

 -8.72(-2.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-fluoro-5-[(2Z)-2-[4-fluoro-5-[5-[(1-hydroxy-2-phenylethyl)amino]pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(NC2=CN=CC(=C2)C3=NC=C4C(=C3F)/C(=C\5/N=C6C=NC=C(C6=N5)C7=CC=CS7)/NN4)O

DOS

IR

Vibrations