Geometry & MOs

Info

ID:

308792

PubChem CID:

126522710

Reduced:

FSO2N8H27C29 (1)

Stoich.:

ABC2D8E27F29 (1)

Weight, g/mol:

570.196171

ΔHf, kcal/mol:

68.12

Dipole, Da:

8.15

IP(EA), eV:

 -8.52(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CC(=CC(=C6)CCS(=O)(=O)N)F)/NN3

DOS

IR

Vibrations