Geometry & MOs

Info

ID:

447889

PubChem CID:

135286591

Reduced:

ClFOSN5H23C27 (1)

Stoich.:

ABCDE5F23G27 (1)

Weight, g/mol:

502.133571

ΔHf, kcal/mol:

30.78

Dipole, Da:

1.84

IP(EA), eV:

 -9.06(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-fluoro-5-[(2E)-2-[5-(1H-pyrazol-4-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(C1=C(C=CC(=C1)C2=CN=CS2)F)NC3=C4C=C(C=CC4=NC=C3Cl)C5=CN=C(N=C5)C(C)(C)O

DOS

IR

Vibrations